SQ 28603
TL;DR: SQ 28603 (CAS 100845-83-8) is a chemical compound with molecular formula C13H17NO3S and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-benzyl-3-sulfanylpropanoyl)amino]propanoic acid
Also Known As: SQ28,603;Squibb 28603, 3-[(2-benzyl-3-sulfanylpropanoyl)amino]propanoic acid, beta-Alanine, N-(2-(mercaptomethyl)-1-oxo-3-phenylpropyl)-, 3-(2-Benzyl-3-mercaptopropanamido)propanoic acid, 3-(2-Benzyl-3-mercapto-propionylamino)-propionic acid
| Molecular Formula | C13H17NO3S |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 267.09293 |
| Heavy Atoms | 18 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 100845-83-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(CS)C(=O)NCCC(=O)O |
| InChIKey | ZCTDTVUDURCGFX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
SQ 28603 (CAS 100845-83-8), with molecular formula C13H17NO3S and molecular weight 267.09 g/mol. IUPAC: 3-[(2-benzyl-3-sulfanylpropanoyl)amino]propanoic acid.
Chemical Property Profile of SQ 28603
Property Insights of SQ 28603
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for SQ 28603. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for SQ 28603. Following Lipinski's Rule of Five, SQ 28603 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of SQ 28603?
The CAS number of SQ 28603 is 100845-83-8.
What is the molecular formula of SQ 28603?
The molecular formula of SQ 28603 is C13H17NO3S.
What is the molecular weight of SQ 28603?
The molecular weight of SQ 28603 is 267.09 g/mol.
Where can I buy SQ 28603?
You can request a quote for SQ 28603 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SQ 28603?
Yes, KEHONG BIO provides custom synthesis services for SQ 28603 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.