BAS 06502903
TL;DR: BAS 06502903 (CAS 478252-99-2) is a chemical compound with molecular formula C14H18ClN5O2 and molecular weight 323.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(3-chlorobut-2-enyl)-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione
Also Known As: BAS 06502903, 7-(3-chlorobut-2-enyl)-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione, 7-(3-Chlorobut-2-en-1-yl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione, 7-[(2Z)-3-chlorobut-2-en-1-yl]-3-methyl-8-(pyrrolidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C14H18ClN5O2 |
|---|---|
| Molecular Weight | 323.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.1149 |
| Heavy Atoms | 22 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 478252-99-2 |
|---|---|
| SMILES | CC(=CCN1C2=C(N=C1N3CCCC3)N(C(=O)NC2=O)C)Cl |
| InChIKey | ZBLVRYCQBKPLSS-UHFFFAOYSA-N |
Product Overview
BAS 06502903 (CAS 478252-99-2), with molecular formula C14H18ClN5O2 and molecular weight 323.11 g/mol. IUPAC: 7-(3-chlorobut-2-enyl)-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione.
Chemical Property Profile of BAS 06502903
Property Insights of BAS 06502903
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 06502903. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06502903. Following Lipinski's Rule of Five, BAS 06502903 has 1 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 06502903?
The CAS number of BAS 06502903 is 478252-99-2.
What is the molecular formula of BAS 06502903?
The molecular formula of BAS 06502903 is C14H18ClN5O2.
What is the molecular weight of BAS 06502903?
The molecular weight of BAS 06502903 is 323.11 g/mol.
Where can I buy BAS 06502903?
You can request a quote for BAS 06502903 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06502903?
Yes, KEHONG BIO provides custom synthesis services for BAS 06502903 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.