BAS 02767687
TL;DR: BAS 02767687 (CAS 333420-16-9) is a chemical compound with molecular formula C23H22N4O4S and molecular weight 450.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[3-methyl-7-[(3-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylacetate
Also Known As: BAS 02767687, J2.630.532B, AB00672693-01, F0839-0035, benzyl {[3-methyl-7-(3-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate
| Molecular Formula | C23H22N4O4S |
|---|---|
| Molecular Weight | 450.14 g/mol |
| LogP | 2.61552 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 450.13617 |
| Heavy Atoms | 32 |
| Complexity | 1388.8865 |
Chemical Identifiers
| CAS Number | 333420-16-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C3=C(N=C2SCC(=O)OCC4=CC=CC=C4)N(C(=O)NC3=O)C |
Product Overview
BAS 02767687 (CAS 333420-16-9), with molecular formula C23H22N4O4S and molecular weight 450.14 g/mol. IUPAC: benzyl 2-[3-methyl-7-[(3-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylacetate.
Chemical Property Profile of BAS 02767687
Property Insights of BAS 02767687
The XLogP value of 2.61552 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02767687. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02767687. Following Lipinski's Rule of Five, BAS 02767687 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 02767687?
The CAS number of BAS 02767687 is 333420-16-9.
What is the molecular formula of BAS 02767687?
The molecular formula of BAS 02767687 is C23H22N4O4S.
What is the molecular weight of BAS 02767687?
The molecular weight of BAS 02767687 is 450.14 g/mol.
Where can I buy BAS 02767687?
You can request a quote for BAS 02767687 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02767687?
Yes, KEHONG BIO provides custom synthesis services for BAS 02767687 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.