BAS 04914730
TL;DR: BAS 04914730 (CAS 489399-03-3) is a chemical compound with molecular formula C16H18ClN5O3 and molecular weight 363.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chlorophenyl)methyl]-8-[2-hydroxyethyl(methyl)amino]-3-methylpurine-2,6-dione
Also Known As: BAS 04914730, AB01286276-01, 7-(2-chlorobenzyl)-8-((2-hydroxyethyl)(methyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-[(2-chlorophenyl)methyl]-8-[2-hydroxyethyl(methyl)amino]-3-methylpurine-2,6-dione, 7-(2-chlorobenzyl)-8-[(2-hydroxyethyl)(methyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C16H18ClN5O3 |
|---|---|
| Molecular Weight | 363.11 g/mol |
| LogP | 0.5535 |
| Topological Polar Surface Area | 96.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.1098 |
| Heavy Atoms | 25 |
| Complexity | 1036.4067 |
Chemical Identifiers
| CAS Number | 489399-03-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)CCO)CC3=CC=CC=C3Cl |
Product Overview
BAS 04914730 (CAS 489399-03-3), with molecular formula C16H18ClN5O3 and molecular weight 363.11 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-8-[2-hydroxyethyl(methyl)amino]-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 04914730
Property Insights of BAS 04914730
The XLogP value of 0.5535 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04914730. The TPSA of 96.15 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04914730. Following Lipinski's Rule of Five, BAS 04914730 has 2 hydrogen bond donor(s) and 5 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 04914730?
The CAS number of BAS 04914730 is 489399-03-3.
What is the molecular formula of BAS 04914730?
The molecular formula of BAS 04914730 is C16H18ClN5O3.
What is the molecular weight of BAS 04914730?
The molecular weight of BAS 04914730 is 363.11 g/mol.
Where can I buy BAS 04914730?
You can request a quote for BAS 04914730 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04914730?
Yes, KEHONG BIO provides custom synthesis services for BAS 04914730 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.