AB00104942-01
TL;DR: AB00104942-01 (CAS 6273-96-7) is a chemical compound with molecular formula C18H20N4O4S and molecular weight 388.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylpropanoic acid
Also Known As: AB00104942-01, 2-({1,3-DIMETHYL-7-[(2-METHYLPHENYL)METHYL]-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL}SULFANYL)PROPANOIC ACID, 2-[1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylpropanoic acid, 2-[1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-purin-8-yl]sulfanylpropanoic Acid, 2-{[1,3-dimethyl-7-(2-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]thio}propanoic acid
| Molecular Formula | C18H20N4O4S |
|---|---|
| Molecular Weight | 388.12 g/mol |
| LogP | 1.35562 |
| Topological Polar Surface Area | 99.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.1205 |
| Heavy Atoms | 27 |
| Complexity | 1158.6036 |
Chemical Identifiers
| CAS Number | 6273-96-7 |
|---|---|
| SMILES | CC1=CC=CC=C1CN2C3=C(N=C2SC(C)C(=O)O)N(C(=O)N(C3=O)C)C |
Product Overview
AB00104942-01 (CAS 6273-96-7), with molecular formula C18H20N4O4S and molecular weight 388.12 g/mol. IUPAC: 2-[1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylpropanoic acid.
Chemical Property Profile of AB00104942-01
Property Insights of AB00104942-01
The XLogP value of 1.35562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00104942-01. The TPSA of 99.12 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00104942-01. Following Lipinski's Rule of Five, AB00104942-01 has 1 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 AB00104942-01?
The CAS number of AB00104942-01 is 6273-96-7.
What is the molecular formula of AB00104942-01?
The molecular formula of AB00104942-01 is C18H20N4O4S.
What is the molecular weight of AB00104942-01?
The molecular weight of AB00104942-01 is 388.12 g/mol.
Where can I buy AB00104942-01?
You can request a quote for AB00104942-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00104942-01?
Yes, KEHONG BIO provides custom synthesis services for AB00104942-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.