BAS 02767688
TL;DR: BAS 02767688 (CAS 361173-40-2) is a chemical compound with molecular formula C17H18N4O4S and molecular weight 374.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-methyl-7-[(3-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylacetate
Also Known As: BAS 02767688, AB00672694-01, methyl 2-((3-methyl-7-(3-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate, F0839-0036, methyl {[6-hydroxy-3-methyl-7-(3-methylbenzyl)-2-oxo-3,7-dihydro-2H-purin-8-yl]sulfanyl}acetate
| Molecular Formula | C17H18N4O4S |
|---|---|
| Molecular Weight | 374.10 g/mol |
| LogP | 1.04512 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.1049 |
| Heavy Atoms | 26 |
| Complexity | 1096.3164 |
Chemical Identifiers
| CAS Number | 361173-40-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C3=C(N=C2SCC(=O)OC)N(C(=O)NC3=O)C |
Product Overview
BAS 02767688 (CAS 361173-40-2), with molecular formula C17H18N4O4S and molecular weight 374.10 g/mol. IUPAC: methyl 2-[3-methyl-7-[(3-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylacetate.
Chemical Property Profile of BAS 02767688
Property Insights of BAS 02767688
The XLogP value of 1.04512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02767688. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02767688. Following Lipinski's Rule of Five, BAS 02767688 has 1 hydrogen bond donor(s) and 6 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 BAS 02767688?
The CAS number of BAS 02767688 is 361173-40-2.
What is the molecular formula of BAS 02767688?
The molecular formula of BAS 02767688 is C17H18N4O4S.
What is the molecular weight of BAS 02767688?
The molecular weight of BAS 02767688 is 374.10 g/mol.
Where can I buy BAS 02767688?
You can request a quote for BAS 02767688 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02767688?
Yes, KEHONG BIO provides custom synthesis services for BAS 02767688 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.