ADS032

CAT: 0607-BA6111-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0607-BA6111-50Size:50 mg

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

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CAS Number

2757333-37-0

Form

A solid

Molecular Formula

C22H29NO4S

Molecular Weight

403.53

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

4-[4-[4-(Dipropylsulfamoyl)phenyl]phenyl]butanoic acid

CAS Number	2757333-37-0
PubChem CID	162429727
IUPAC Name	4-[4-[4-(dipropylsulfamoyl)phenyl]phenyl]butanoic acid
Molecular Formula	C22H29NO4S
Molecular Weight	403.5
XLogP	4.6
Topological Polar Surface Area	83.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	11
Heavy Atom Count	28
Formal Charge	0
Complexity	550

SMILES

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)CCCC(=O)O

InChI

InChI=1S/C22H29NO4S/c1-3-16-23(17-4-2)28(26,27)21-14-12-20(13-15-21)19-10-8-18(9-11-19)6-5-7-22(24)25/h8-15H,3-7,16-17H2,1-2H3,(H,24,25)

InChIKey

UNMDICXGCNPMPK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2757333-37-0

CID: 162429727

Formula: C22H29NO4S

MW: 403.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	403.5
XLogP3	4.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	11
Exact Mass	403.18172958
Monoisotopic Mass	403.18172958
Topological Polar Surface Area	83.1 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	550
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
T79906-01	ADS032