BAS 12663039
TL;DR: BAS 12663039 (CAS 876673-11-9) is a chemical compound with molecular formula C17H16ClN5O3 and molecular weight 373.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-chloro-4-methoxyphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
Also Known As: BAS 12663039, 8-(3-chloro-4-methoxyphenyl)-1,6,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 6-(3-chloro-4-methoxyphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione, 8-(3-chloro-4-methoxyphenyl)-4-hydroxy-1,6,7-trimethyl-1H-imidazo[2,1-f]purin-2(8H)-one
| Molecular Formula | C17H16ClN5O3 |
|---|---|
| Molecular Weight | 373.09 g/mol |
| LogP | 1.94404 |
| Topological Polar Surface Area | 86.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 373.09418 |
| Heavy Atoms | 26 |
| Complexity | 1308.4032 |
Chemical Identifiers
| CAS Number | 876673-11-9 |
|---|---|
| SMILES | CC1=C(N2C3=C(N=C2N1C4=CC(=C(C=C4)OC)Cl)N(C(=O)NC3=O)C)C |
Product Overview
BAS 12663039 (CAS 876673-11-9), with molecular formula C17H16ClN5O3 and molecular weight 373.09 g/mol. IUPAC: 6-(3-chloro-4-methoxyphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of BAS 12663039
Property Insights of BAS 12663039
The XLogP value of 1.94404 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12663039. The TPSA of 86.32 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12663039. Following Lipinski's Rule of Five, BAS 12663039 has 1 hydrogen bond donor(s) and 4 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 12663039?
The CAS number of BAS 12663039 is 876673-11-9.
What is the molecular formula of BAS 12663039?
The molecular formula of BAS 12663039 is C17H16ClN5O3.
What is the molecular weight of BAS 12663039?
The molecular weight of BAS 12663039 is 373.09 g/mol.
Where can I buy BAS 12663039?
You can request a quote for BAS 12663039 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12663039?
Yes, KEHONG BIO provides custom synthesis services for BAS 12663039 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.