SQ 29072
TL;DR: SQ 29072 (CAS 122222-44-0) is a chemical compound with molecular formula C17H25NO3S and molecular weight 323.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-benzyl-3-sulfanylpropanoyl)amino]heptanoic acid
Also Known As: SQ 29072, SQ 29,072, 7-[(2-benzyl-3-sulfanylpropanoyl)amino]heptanoic acid, 7-(2-BENZYL-3-SULFANYLPROPANAMIDO)HEPTANOIC ACID, 7-((2-(Mercaptomethyl)-1-oxo-3-phenylpropyl)amino)heptanoic acid
| Molecular Formula | C17H25NO3S |
|---|---|
| Molecular Weight | 323.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 323.15552 |
| Heavy Atoms | 22 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 122222-44-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(CS)C(=O)NCCCCCCC(=O)O |
| InChIKey | KJVKOEVEFLXJES-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
SQ 29072 (CAS 122222-44-0), with molecular formula C17H25NO3S and molecular weight 323.16 g/mol. IUPAC: 7-[(2-benzyl-3-sulfanylpropanoyl)amino]heptanoic acid.
Chemical Property Profile of SQ 29072
Property Insights of SQ 29072
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for SQ 29072. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for SQ 29072. Following Lipinski's Rule of Five, SQ 29072 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 29072?
The CAS number of SQ 29072 is 122222-44-0.
What is the molecular formula of SQ 29072?
The molecular formula of SQ 29072 is C17H25NO3S.
What is the molecular weight of SQ 29072?
The molecular weight of SQ 29072 is 323.16 g/mol.
Where can I buy SQ 29072?
You can request a quote for SQ 29072 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SQ 29072?
Yes, KEHONG BIO provides custom synthesis services for SQ 29072 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.