BAS 12662654
TL;DR: BAS 12662654 (CAS 876671-67-9) is a chemical compound with molecular formula C18H18ClN5O3 and molecular weight 387.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-chlorophenyl)-2-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
Also Known As: BAS 12662654, UPCMLD0ENAT5815539:001, 8-(2-chlorophenyl)-3-(2-methoxyethyl)-1,7-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 6-(2-chlorophenyl)-2-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione, 8-(2-chlorophenyl)-3-(2-methoxyethyl)-1,7-dimethyl-1,3,5-trihydro-4-imidazolin o[1,2-h]purine-2,4-dione
| Molecular Formula | C18H18ClN5O3 |
|---|---|
| Molecular Weight | 387.11 g/mol |
| LogP | 1.74682 |
| Topological Polar Surface Area | 75.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.1098 |
| Heavy Atoms | 27 |
| Complexity | 1294.5408 |
Chemical Identifiers
| CAS Number | 876671-67-9 |
|---|---|
| SMILES | CC1=CN2C3=C(N=C2N1C4=CC=CC=C4Cl)N(C(=O)N(C3=O)CCOC)C |
Product Overview
BAS 12662654 (CAS 876671-67-9), with molecular formula C18H18ClN5O3 and molecular weight 387.11 g/mol. IUPAC: 6-(2-chlorophenyl)-2-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of BAS 12662654
Property Insights of BAS 12662654
The XLogP value of 1.74682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12662654. The TPSA of 75.46 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12662654. Following Lipinski's Rule of Five, BAS 12662654 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 12662654?
The CAS number of BAS 12662654 is 876671-67-9.
What is the molecular formula of BAS 12662654?
The molecular formula of BAS 12662654 is C18H18ClN5O3.
What is the molecular weight of BAS 12662654?
The molecular weight of BAS 12662654 is 387.11 g/mol.
Where can I buy BAS 12662654?
You can request a quote for BAS 12662654 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12662654?
Yes, KEHONG BIO provides custom synthesis services for BAS 12662654 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.