BAS 01547188
TL;DR: BAS 01547188 (CAS 500118-30-9) is a chemical compound with molecular formula C23H21ClN4O4S and molecular weight 484.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetate
Also Known As: BAS 01547188, AB01281421-01, benzyl 2-({7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetate, benzyl 2-[7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetate, BENZYL {[7-(2-CHLOROBENZYL)-1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]SULFANYL}ACETATE
| Molecular Formula | C23H21ClN4O4S |
|---|---|
| Molecular Weight | 484.10 g/mol |
| LogP | 2.9709 |
| Topological Polar Surface Area | 88.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 484.0972 |
| Heavy Atoms | 33 |
| Complexity | 1442.8616 |
Chemical Identifiers
| CAS Number | 500118-30-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)OCC3=CC=CC=C3)CC4=CC=CC=C4Cl |
Product Overview
BAS 01547188 (CAS 500118-30-9), with molecular formula C23H21ClN4O4S and molecular weight 484.10 g/mol. IUPAC: benzyl 2-[7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetate.
Chemical Property Profile of BAS 01547188
Property Insights of BAS 01547188
The XLogP value of 2.9709 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01547188. The TPSA of 88.12 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01547188. Following Lipinski's Rule of Five, BAS 01547188 has 0 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 01547188?
The CAS number of BAS 01547188 is 500118-30-9.
What is the molecular formula of BAS 01547188?
The molecular formula of BAS 01547188 is C23H21ClN4O4S.
What is the molecular weight of BAS 01547188?
The molecular weight of BAS 01547188 is 484.10 g/mol.
Where can I buy BAS 01547188?
You can request a quote for BAS 01547188 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01547188?
Yes, KEHONG BIO provides custom synthesis services for BAS 01547188 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.