Sphynolactone-7

CAT: 0127-OR1078636-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1078636-01Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2305752-57-0

Synonyms

4-Methyl-5-oxo-2,5-dihydrofuran-2-yl 4-[ (4-Butoxyphenyl) sulfonyl]piperazine-1-carboxylate / SPL 7

Purity

>98.0%

Smiles

CCCCOC1=CC=C (C=C1) S (=O) (=O) N2CCN (CC2) C (=O) OC3C=C (C (=O) O3) C

Chemical Information

Sphynolactone-7

CAS Number	2305752-57-0
PubChem CID	138059680
IUPAC Name	(4-methyl-5-oxo-2H-furan-2-yl) 4-(4-butoxyphenyl)sulfonylpiperazine-1-carboxylate
Molecular Formula	C20H26N2O7S
Molecular Weight	438.5
XLogP	2.5
Topological Polar Surface Area	111
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Heavy Atom Count	30
Formal Charge	0
Complexity	746

SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)OC3C=C(C(=O)O3)C

InChI

InChI=1S/C20H26N2O7S/c1-3-4-13-27-16-5-7-17(8-6-16)30(25,26)22-11-9-21(10-12-22)20(24)29-18-14-15(2)19(23)28-18/h5-8,14,18H,3-4,9-13H2,1-2H3

InChIKey

GGAPQPVAXJSNFU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2305752-57-0

CID: 138059680

Formula: C20H26N2O7S

MW: 438.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	438.5
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Exact Mass	438.14607235
Monoisotopic Mass	438.14607235
Topological Polar Surface Area	111 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	746
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR2959	7-Chlorooct-7-enenitrile
OR1027958-01	7-Methyloctyl 7-Methyloctanoate
OR01801	7-Bromooct-7-enenitrile
OR54331-01	7-Azaindole 7-oxide
BUP06642-01	7-Cyano-7-deazaguanine
OR01806	7-Methyloct-7-enenitrile
OR1049856-01	7- (7-Aminoheptanamido) heptanoic acid
OR01822	Ethyl 7-bromooct-7-enoate
OR1002900-01	7-Methoxy-3,7-dimethyloctanal
OR01826	Ethyl 7-methyloct-7-enoate

Catalog	Name
HY-125284-01	Sphynolactone-7
X-LCP-105	7.7 MAG
sc-398919	Siglec-7 (A-7)
MBS7161988	7.7 Antibody
TBZ1236	7,7α-Diepialexine
sc-390856	Dok-7 (A-7)
H998456	Heptanoic-7,7,7-d3 Acid
168296	IL-7 (IL7, IL-7 Interleukin 7, Interleukin-7)
B683892	1-Bromoheptane-7,7,7-d3
C 214-05	7- Cyano- 7- deazainosine (7-CN-7-C-Ino / Jaspamycin)