BAS 12662452
TL;DR: BAS 12662452 (CAS 876670-29-0) is a chemical compound with molecular formula C20H21N5O3 and molecular weight 379.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7,8-trimethyl-6-(3-methylphenyl)-2-(2-oxopropyl)purino[7,8-a]imidazole-1,3-dione
Also Known As: BAS 12662452, VU0491539-1, F2583-0095, 1,6,7-trimethyl-3-(2-oxopropyl)-8-(m-tolyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 4,7,8-trimethyl-6-(3-methylphenyl)-2-(2-oxopropyl)purino[7,8-a]imidazole-1,3-dione
| Molecular Formula | C20H21N5O3 |
|---|---|
| Molecular Weight | 379.16 g/mol |
| LogP | 1.65286 |
| Topological Polar Surface Area | 83.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.16443 |
| Heavy Atoms | 28 |
| Complexity | 1397.7269 |
Chemical Identifiers
| CAS Number | 876670-29-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=C(N3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)C)C)C |
Product Overview
BAS 12662452 (CAS 876670-29-0), with molecular formula C20H21N5O3 and molecular weight 379.16 g/mol. IUPAC: 4,7,8-trimethyl-6-(3-methylphenyl)-2-(2-oxopropyl)purino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of BAS 12662452
Property Insights of BAS 12662452
The XLogP value of 1.65286 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12662452. The TPSA of 83.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12662452. Following Lipinski's Rule of Five, BAS 12662452 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 12662452?
The CAS number of BAS 12662452 is 876670-29-0.
What is the molecular formula of BAS 12662452?
The molecular formula of BAS 12662452 is C20H21N5O3.
What is the molecular weight of BAS 12662452?
The molecular weight of BAS 12662452 is 379.16 g/mol.
Where can I buy BAS 12662452?
You can request a quote for BAS 12662452 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12662452?
Yes, KEHONG BIO provides custom synthesis services for BAS 12662452 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.