BAS 12662812
TL;DR: BAS 12662812 (CAS 876672-33-2) is a chemical compound with molecular formula C19H20ClN5O4 and molecular weight 417.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-chloro-4-methoxyphenyl)-2-(3-hydroxypropyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
Also Known As: BAS 12662812, F2583-0331, 6-(3-chloro-4-methoxyphenyl)-2-(3-hydroxypropyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione, 8-(3-chloro-4-methoxyphenyl)-3-(3-hydroxypropyl)-1,7-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 8-(3-chloro-4-methoxyphenyl)-3-(3-hydroxypropyl)-1,7-dimethyl-1,3,5-trihydro-4 -imidazolino[1,2-h]purine-2,4-dione
| Molecular Formula | C19H20ClN5O4 |
|---|---|
| Molecular Weight | 417.12 g/mol |
| LogP | 1.49142 |
| Topological Polar Surface Area | 95.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.1204 |
| Heavy Atoms | 29 |
| Complexity | 1361.4211 |
Chemical Identifiers
| CAS Number | 876672-33-2 |
|---|---|
| SMILES | CC1=CN2C3=C(N=C2N1C4=CC(=C(C=C4)OC)Cl)N(C(=O)N(C3=O)CCCO)C |
Product Overview
BAS 12662812 (CAS 876672-33-2), with molecular formula C19H20ClN5O4 and molecular weight 417.12 g/mol. IUPAC: 6-(3-chloro-4-methoxyphenyl)-2-(3-hydroxypropyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of BAS 12662812
Property Insights of BAS 12662812
The XLogP value of 1.49142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12662812. The TPSA of 95.69 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12662812. Following Lipinski's Rule of Five, BAS 12662812 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 12662812?
The CAS number of BAS 12662812 is 876672-33-2.
What is the molecular formula of BAS 12662812?
The molecular formula of BAS 12662812 is C19H20ClN5O4.
What is the molecular weight of BAS 12662812?
The molecular weight of BAS 12662812 is 417.12 g/mol.
Where can I buy BAS 12662812?
You can request a quote for BAS 12662812 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12662812?
Yes, KEHONG BIO provides custom synthesis services for BAS 12662812 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.