BAS 06502896
TL;DR: BAS 06502896 (CAS 478252-95-8) is a chemical compound with molecular formula C16H18ClN5O3 and molecular weight 363.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(3-chlorobut-2-enyl)-8-(furan-2-ylmethylamino)-1,3-dimethylpurine-2,6-dione
Also Known As: BAS 06502896, 7-(3-chlorobut-2-enyl)-8-(furan-2-ylmethylamino)-1,3-dimethylpurine-2,6-dione, 7-(3-Chlorobut-2-en-1-yl)-8-((furan-2-ylmethyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-[(2Z)-3-chlorobut-2-en-1-yl]-8-{[(furan-2-yl)methyl]amino}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C16H18ClN5O3 |
|---|---|
| Molecular Weight | 363.11 g/mol |
| LogP | 1.7814 |
| Topological Polar Surface Area | 86.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.1098 |
| Heavy Atoms | 25 |
| Complexity | 1052.3005 |
Chemical Identifiers
| CAS Number | 478252-95-8 |
|---|---|
| SMILES | CC(=CCN1C2=C(N=C1NCC3=CC=CO3)N(C(=O)N(C2=O)C)C)Cl |
Product Overview
BAS 06502896 (CAS 478252-95-8), with molecular formula C16H18ClN5O3 and molecular weight 363.11 g/mol. IUPAC: 7-(3-chlorobut-2-enyl)-8-(furan-2-ylmethylamino)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of BAS 06502896
Property Insights of BAS 06502896
The XLogP value of 1.7814 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 06502896. The TPSA of 86.99 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06502896. Following Lipinski's Rule of Five, BAS 06502896 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 06502896?
The CAS number of BAS 06502896 is 478252-95-8.
What is the molecular formula of BAS 06502896?
The molecular formula of BAS 06502896 is C16H18ClN5O3.
What is the molecular weight of BAS 06502896?
The molecular weight of BAS 06502896 is 363.11 g/mol.
Where can I buy BAS 06502896?
You can request a quote for BAS 06502896 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06502896?
Yes, KEHONG BIO provides custom synthesis services for BAS 06502896 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.