BAS 12662929
TL;DR: BAS 12662929 (CAS 876672-81-0) is a chemical compound with molecular formula C18H17ClN6O3 and molecular weight 400.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-(2-chlorophenyl)-4,7,8-trimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetamide
Also Known As: BAS 12662929, VU0491585-1, F2583-0397, 2-[6-(2-chlorophenyl)-4,7,8-trimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetamide, 2-(8-(2-chlorophenyl)-1,6,7-trimethyl-2,4-dioxo-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetamide
| Molecular Formula | C18H17ClN6O3 |
|---|---|
| Molecular Weight | 400.11 g/mol |
| LogP | 0.89414 |
| Topological Polar Surface Area | 109.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.10507 |
| Heavy Atoms | 28 |
| Complexity | 1405.2068 |
Chemical Identifiers
| CAS Number | 876672-81-0 |
|---|---|
| SMILES | CC1=C(N2C3=C(N=C2N1C4=CC=CC=C4Cl)N(C(=O)N(C3=O)CC(=O)N)C)C |
Product Overview
BAS 12662929 (CAS 876672-81-0), with molecular formula C18H17ClN6O3 and molecular weight 400.11 g/mol. IUPAC: 2-[6-(2-chlorophenyl)-4,7,8-trimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetamide.
Chemical Property Profile of BAS 12662929
Property Insights of BAS 12662929
The XLogP value of 0.89414 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12662929. The TPSA of 109.32 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12662929. Following Lipinski's Rule of Five, BAS 12662929 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 12662929?
The CAS number of BAS 12662929 is 876672-81-0.
What is the molecular formula of BAS 12662929?
The molecular formula of BAS 12662929 is C18H17ClN6O3.
What is the molecular weight of BAS 12662929?
The molecular weight of BAS 12662929 is 400.11 g/mol.
Where can I buy BAS 12662929?
You can request a quote for BAS 12662929 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12662929?
Yes, KEHONG BIO provides custom synthesis services for BAS 12662929 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.