BAS 03058577
TL;DR: BAS 03058577 (CAS 377064-60-3) is a chemical compound with molecular formula C24H24N4O4S and molecular weight 464.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanylacetate
Also Known As: BAS 03058577, benzyl 2-[3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanylacetate, benzyl 2-{[3-methyl-2,6-dioxo-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate, benzyl {[3-methyl-2,6-dioxo-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate, benzyl {[3-methyl-2,6-dioxo-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]thio}acetate
| Molecular Formula | C24H24N4O4S |
|---|---|
| Molecular Weight | 464.15 g/mol |
| LogP | 2.8916 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 464.15182 |
| Heavy Atoms | 33 |
| Complexity | 1360.4908 |
Chemical Identifiers
| CAS Number | 377064-60-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)OCC3=CC=CC=C3)CCCC4=CC=CC=C4 |
Product Overview
BAS 03058577 (CAS 377064-60-3), with molecular formula C24H24N4O4S and molecular weight 464.15 g/mol. IUPAC: benzyl 2-[3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanylacetate.
Chemical Property Profile of BAS 03058577
Property Insights of BAS 03058577
The XLogP value of 2.8916 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03058577. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03058577. Following Lipinski's Rule of Five, BAS 03058577 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 03058577?
The CAS number of BAS 03058577 is 377064-60-3.
What is the molecular formula of BAS 03058577?
The molecular formula of BAS 03058577 is C24H24N4O4S.
What is the molecular weight of BAS 03058577?
The molecular weight of BAS 03058577 is 464.15 g/mol.
Where can I buy BAS 03058577?
You can request a quote for BAS 03058577 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03058577?
Yes, KEHONG BIO provides custom synthesis services for BAS 03058577 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.