BAS 06502902
TL;DR: BAS 06502902 (CAS 1164540-26-4) is a chemical compound with molecular formula C16H20ClN7O2 and molecular weight 377.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(Z)-3-chlorobut-2-enyl]-8-(3-imidazol-1-ylpropylamino)-3-methylpurine-2,6-dione
Also Known As: BAS 06502902, (Z)-8-((3-(1H-imidazol-1-yl)propyl)amino)-7-(3-chlorobut-2-en-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-[(Z)-3-chlorobut-2-enyl]-8-(3-imidazol-1-ylpropylamino)-3-methylpurine-2,6-dione, 7-[(2Z)-3-chlorobut-2-en-1-yl]-8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-((Z)-3-Chloro-but-2-enyl)-8-(3-imidazol-1-yl-propylamino)-3-methyl-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C16H20ClN7O2 |
|---|---|
| Molecular Weight | 377.14 g/mol |
| LogP | 1.2646 |
| Topological Polar Surface Area | 102.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 377.1367 |
| Heavy Atoms | 26 |
| Complexity | 1039.1582 |
Chemical Identifiers
| CAS Number | 1164540-26-4 |
|---|---|
| SMILES | C/C(=C/CN1C2=C(N=C1NCCCN3C=CN=C3)N(C(=O)NC2=O)C)/Cl |
Product Overview
BAS 06502902 (CAS 1164540-26-4), with molecular formula C16H20ClN7O2 and molecular weight 377.14 g/mol. IUPAC: 7-[(Z)-3-chlorobut-2-enyl]-8-(3-imidazol-1-ylpropylamino)-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 06502902
Property Insights of BAS 06502902
The XLogP value of 1.2646 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 06502902. The TPSA of 102.53 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06502902. Following Lipinski's Rule of Five, BAS 06502902 has 2 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 06502902?
The CAS number of BAS 06502902 is 1164540-26-4.
What is the molecular formula of BAS 06502902?
The molecular formula of BAS 06502902 is C16H20ClN7O2.
What is the molecular weight of BAS 06502902?
The molecular weight of BAS 06502902 is 377.14 g/mol.
Where can I buy BAS 06502902?
You can request a quote for BAS 06502902 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06502902?
Yes, KEHONG BIO provides custom synthesis services for BAS 06502902 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.