BAS 12662971
TL;DR: BAS 12662971 (CAS 876672-96-7) is a chemical compound with molecular formula C20H22ClN5O4 and molecular weight 431.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(5-chloro-2-methoxyphenyl)-2-(3-hydroxypropyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
Also Known As: BAS 12662971, UPCMLD0ENAT5815063:001, 6-(5-chloro-2-methoxyphenyl)-2-(3-hydroxypropyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione, 8-(5-chloro-2-methoxyphenyl)-3-(3-hydroxypropyl)-1,6,7-trimethyl-1,3,5-trihydr o-4-imidazolino[1,2-h]purine-2,4-dione, 8-(5-chloro-2-methoxyphenyl)-3-(3-hydroxypropyl)-1,6,7-trimethyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione
| Molecular Formula | C20H22ClN5O4 |
|---|---|
| Molecular Weight | 431.14 g/mol |
| LogP | 1.79984 |
| Topological Polar Surface Area | 95.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.13602 |
| Heavy Atoms | 30 |
| Complexity | 1409.3278 |
Chemical Identifiers
| CAS Number | 876672-96-7 |
|---|---|
| SMILES | CC1=C(N2C3=C(N=C2N1C4=C(C=CC(=C4)Cl)OC)N(C(=O)N(C3=O)CCCO)C)C |
Product Overview
BAS 12662971 (CAS 876672-96-7), with molecular formula C20H22ClN5O4 and molecular weight 431.14 g/mol. IUPAC: 6-(5-chloro-2-methoxyphenyl)-2-(3-hydroxypropyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of BAS 12662971
Property Insights of BAS 12662971
The XLogP value of 1.79984 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12662971. The TPSA of 95.69 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12662971. Following Lipinski's Rule of Five, BAS 12662971 has 1 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 12662971?
The CAS number of BAS 12662971 is 876672-96-7.
What is the molecular formula of BAS 12662971?
The molecular formula of BAS 12662971 is C20H22ClN5O4.
What is the molecular weight of BAS 12662971?
The molecular weight of BAS 12662971 is 431.14 g/mol.
Where can I buy BAS 12662971?
You can request a quote for BAS 12662971 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12662971?
Yes, KEHONG BIO provides custom synthesis services for BAS 12662971 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.