BAS 00491898
TL;DR: BAS 00491898 (CAS 313470-72-3) is a chemical compound with molecular formula C19H21ClN4O6S and molecular weight 468.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate
Also Known As: BAS 00491898, F0381-4463, ethyl 2-((7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate, ethyl 2-({7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetate, ethyl 2-[7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate
| Molecular Formula | C19H21ClN4O6S |
|---|---|
| Molecular Weight | 468.09 g/mol |
| LogP | 1.1718 |
| Topological Polar Surface Area | 128.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 468.08704 |
| Heavy Atoms | 31 |
| Complexity | 1187.0566 |
Chemical Identifiers
| CAS Number | 313470-72-3 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(N1CC(COC3=CC=C(C=C3)Cl)O)C(=O)NC(=O)N2C |
Product Overview
BAS 00491898 (CAS 313470-72-3), with molecular formula C19H21ClN4O6S and molecular weight 468.09 g/mol. IUPAC: ethyl 2-[7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate.
Chemical Property Profile of BAS 00491898
Property Insights of BAS 00491898
The XLogP value of 1.1718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00491898. The TPSA of 128.44 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00491898. Following Lipinski's Rule of Five, BAS 00491898 has 2 hydrogen bond donor(s) and 8 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 00491898?
The CAS number of BAS 00491898 is 313470-72-3.
What is the molecular formula of BAS 00491898?
The molecular formula of BAS 00491898 is C19H21ClN4O6S.
What is the molecular weight of BAS 00491898?
The molecular weight of BAS 00491898 is 468.09 g/mol.
Where can I buy BAS 00491898?
You can request a quote for BAS 00491898 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00491898?
Yes, KEHONG BIO provides custom synthesis services for BAS 00491898 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.