BAS 01122507
TL;DR: BAS 01122507 (CAS 332103-44-3) is a chemical compound with molecular formula C19H22N4O4S and molecular weight 402.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylacetate
Also Known As: BAS 01122507, AB00137280-02, AB00137280-03, ethyl 2-[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylacetate, ethyl {[1,3-dimethyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate
| Molecular Formula | C19H22N4O4S |
|---|---|
| Molecular Weight | 402.14 g/mol |
| LogP | 1.44562 |
| Topological Polar Surface Area | 88.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.13617 |
| Heavy Atoms | 28 |
| Complexity | 1141.9257 |
Chemical Identifiers
| CAS Number | 332103-44-3 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(N1CC3=CC=C(C=C3)C)C(=O)N(C(=O)N2C)C |
Product Overview
BAS 01122507 (CAS 332103-44-3), with molecular formula C19H22N4O4S and molecular weight 402.14 g/mol. IUPAC: ethyl 2-[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylacetate.
Chemical Property Profile of BAS 01122507
Property Insights of BAS 01122507
The XLogP value of 1.44562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01122507. The TPSA of 88.12 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01122507. Following Lipinski's Rule of Five, BAS 01122507 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 01122507?
The CAS number of BAS 01122507 is 332103-44-3.
What is the molecular formula of BAS 01122507?
The molecular formula of BAS 01122507 is C19H22N4O4S.
What is the molecular weight of BAS 01122507?
The molecular weight of BAS 01122507 is 402.14 g/mol.
Where can I buy BAS 01122507?
You can request a quote for BAS 01122507 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01122507?
Yes, KEHONG BIO provides custom synthesis services for BAS 01122507 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.