Epi-002

CAT: 1299-RM-B795510-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-B795510-01Size:10 mg

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

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CAS Number

1203490-23-6

Synonyms

(R) -3- (4- (2- (4- ((S) -3-chloro-2-hydroxypropoxy) phenyl) propan-2-yl) phenoxy) propane-1,2-diol

Molecular Formula

C21H27ClO5

Molecular Weight

394.89

Target Alternative Name

Bisphenol

Product Name Synonym

(R) -3- (4- (2- (4- ((S) -3-chloro-2-hydroxypropoxy) phenyl) propan-2-yl) phenoxy) propane-1,2-diol

Chemical Information

Ralaniten

Ralaniten is a small molecule drug. Ralaniten has a monoisotopic molecular weight of 394.15 Da.

CAS Number	1203490-23-6
PubChem CID	45107537
IUPAC Name	(2R)-3-[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propane-1,2-diol
Molecular Formula	C21H27ClO5
Molecular Weight	394.9
XLogP	3.3
Topological Polar Surface Area	79.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Heavy Atom Count	27
Formal Charge	0
Complexity	403

SMILES

CC(C)(C1=CC=C(C=C1)OC[C@@H](CO)O)C2=CC=C(C=C2)OC[C@@H](CCl)O

InChI

InChI=1S/C21H27ClO5/c1-21(2,15-3-7-19(8-4-15)26-13-17(24)11-22)16-5-9-20(10-6-16)27-14-18(25)12-23/h3-10,17-18,23-25H,11-14H2,1-2H3/t17-,18-/m1/s1

InChIKey

HDTYUHNZRYZEEB-QZTJIDSGSA-N

Chemical Structure

2D Structure

CAS: 1203490-23-6

CID: 45107537

Formula: C21H27ClO5

MW: 394.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	394.9
XLogP3	3.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Exact Mass	394.1547017
Monoisotopic Mass	394.1547017
Topological Polar Surface Area	79.2 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	403
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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