BAS 12662777
TL;DR: BAS 12662777 (CAS 876672-24-1) is a chemical compound with molecular formula C19H20ClN5O3 and molecular weight 401.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-chloro-4-methoxyphenyl)-4,7-dimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione
Also Known As: BAS 12662777, 6-(3-chloro-4-methoxyphenyl)-4,7-dimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione, 8-(3-chloro-4-methoxyphenyl)-1,7-dimethyl-3-propyl-1,3,5-trihydro-4-imidazolin o[1,2-h]purine-2,4-dione, 8-(3-chloro-4-methoxyphenyl)-1,7-dimethyl-3-propyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione
| Molecular Formula | C19H20ClN5O3 |
|---|---|
| Molecular Weight | 401.13 g/mol |
| LogP | 2.51902 |
| Topological Polar Surface Area | 75.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.12546 |
| Heavy Atoms | 28 |
| Complexity | 1342.0907 |
Chemical Identifiers
| CAS Number | 876672-24-1 |
|---|---|
| SMILES | CCCN1C(=O)C2=C(N=C3N2C=C(N3C4=CC(=C(C=C4)OC)Cl)C)N(C1=O)C |
Product Overview
BAS 12662777 (CAS 876672-24-1), with molecular formula C19H20ClN5O3 and molecular weight 401.13 g/mol. IUPAC: 6-(3-chloro-4-methoxyphenyl)-4,7-dimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of BAS 12662777
Property Insights of BAS 12662777
The XLogP value of 2.51902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12662777. The TPSA of 75.46 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12662777. Following Lipinski's Rule of Five, BAS 12662777 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 12662777?
The CAS number of BAS 12662777 is 876672-24-1.
What is the molecular formula of BAS 12662777?
The molecular formula of BAS 12662777 is C19H20ClN5O3.
What is the molecular weight of BAS 12662777?
The molecular weight of BAS 12662777 is 401.13 g/mol.
Where can I buy BAS 12662777?
You can request a quote for BAS 12662777 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12662777?
Yes, KEHONG BIO provides custom synthesis services for BAS 12662777 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.