BAS 00341078
TL;DR: BAS 00341078 (CAS 301354-07-4) is a chemical compound with molecular formula C24H23ClN4O2S and molecular weight 466.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,7-dibenzyl-8-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-methylpurine-2,6-dione
Also Known As: BAS 00341078, 1,7-dibenzyl-8-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-methylpurine-2,6-dione, (Z)-1,7-dibenzyl-8-((3-chlorobut-2-en-1-yl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione, 1,7-dibenzyl-8-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C24H23ClN4O2S |
|---|---|
| Molecular Weight | 466.12 g/mol |
| LogP | 4.228 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 466.12302 |
| Heavy Atoms | 32 |
| Complexity | 1385.0344 |
Chemical Identifiers
| CAS Number | 301354-07-4 |
|---|---|
| SMILES | C/C(=C/CSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)CC4=CC=CC=C4)/Cl |
Product Overview
BAS 00341078 (CAS 301354-07-4), with molecular formula C24H23ClN4O2S and molecular weight 466.12 g/mol. IUPAC: 1,7-dibenzyl-8-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 00341078
Property Insights of BAS 00341078
The XLogP value of 4.228 indicates that BAS 00341078 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00341078. Following Lipinski's Rule of Five, BAS 00341078 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 00341078?
The CAS number of BAS 00341078 is 301354-07-4.
What is the molecular formula of BAS 00341078?
The molecular formula of BAS 00341078 is C24H23ClN4O2S.
What is the molecular weight of BAS 00341078?
The molecular weight of BAS 00341078 is 466.12 g/mol.
Where can I buy BAS 00341078?
You can request a quote for BAS 00341078 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00341078?
Yes, KEHONG BIO provides custom synthesis services for BAS 00341078 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.