AB01297626-01
TL;DR: AB01297626-01 (CAS 879438-07-0) is a chemical compound with molecular formula C15H22N4O4S and molecular weight 354.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(7-hexyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylpropanoic acid
Also Known As: AB01297626-01, 3-(7-hexyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic Acid, 3-(7-hexyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylpropanoic acid, 3-[(7-hexyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]propanoic acid, 3-[(7-hexyl-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl)sulfanyl]propanoic acid
| Molecular Formula | C15H22N4O4S |
|---|---|
| Molecular Weight | 354.14 g/mol |
| LogP | 1.5704 |
| Topological Polar Surface Area | 109.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 354.13617 |
| Heavy Atoms | 24 |
| Complexity | 836.3372 |
Chemical Identifiers
| CAS Number | 879438-07-0 |
|---|---|
| SMILES | CCCCCCN1C2=C(N=C1SCCC(=O)O)N(C(=O)NC2=O)C |
Product Overview
AB01297626-01 (CAS 879438-07-0), with molecular formula C15H22N4O4S and molecular weight 354.14 g/mol. IUPAC: 3-(7-hexyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylpropanoic acid.
Chemical Property Profile of AB01297626-01
Property Insights of AB01297626-01
The XLogP value of 1.5704 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01297626-01. The TPSA of 109.98 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01297626-01. Following Lipinski's Rule of Five, AB01297626-01 has 2 hydrogen bond donor(s) and 5 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 AB01297626-01?
The CAS number of AB01297626-01 is 879438-07-0.
What is the molecular formula of AB01297626-01?
The molecular formula of AB01297626-01 is C15H22N4O4S.
What is the molecular weight of AB01297626-01?
The molecular weight of AB01297626-01 is 354.14 g/mol.
Where can I buy AB01297626-01?
You can request a quote for AB01297626-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01297626-01?
Yes, KEHONG BIO provides custom synthesis services for AB01297626-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.