BAS 12662416
TL;DR: BAS 12662416 (CAS 876670-07-4) is a chemical compound with molecular formula C18H16ClN5O3 and molecular weight 385.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-chlorophenyl)-4,7-dimethyl-2-(2-oxopropyl)purino[7,8-a]imidazole-1,3-dione
Also Known As: BAS 12662416, UPCMLD0ENAT5796610:001, VU0491525-1, 8-(3-chlorophenyl)-1,7-dimethyl-3-(2-oxopropyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, F2583-0062
| Molecular Formula | C18H16ClN5O3 |
|---|---|
| Molecular Weight | 385.09 g/mol |
| LogP | 1.68942 |
| Topological Polar Surface Area | 83.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.09418 |
| Heavy Atoms | 27 |
| Complexity | 1355.5736 |
Chemical Identifiers
| CAS Number | 876670-07-4 |
|---|---|
| SMILES | CC1=CN2C3=C(N=C2N1C4=CC(=CC=C4)Cl)N(C(=O)N(C3=O)CC(=O)C)C |
Product Overview
BAS 12662416 (CAS 876670-07-4), with molecular formula C18H16ClN5O3 and molecular weight 385.09 g/mol. IUPAC: 6-(3-chlorophenyl)-4,7-dimethyl-2-(2-oxopropyl)purino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of BAS 12662416
Property Insights of BAS 12662416
The XLogP value of 1.68942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12662416. The TPSA of 83.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12662416. Following Lipinski's Rule of Five, BAS 12662416 has 0 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 12662416?
The CAS number of BAS 12662416 is 876670-07-4.
What is the molecular formula of BAS 12662416?
The molecular formula of BAS 12662416 is C18H16ClN5O3.
What is the molecular weight of BAS 12662416?
The molecular weight of BAS 12662416 is 385.09 g/mol.
Where can I buy BAS 12662416?
You can request a quote for BAS 12662416 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12662416?
Yes, KEHONG BIO provides custom synthesis services for BAS 12662416 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.