BAS 00396577
TL;DR: BAS 00396577 (CAS 331672-03-8) is a chemical compound with molecular formula C19H29ClN4O2S and molecular weight 412.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-methyl-7-nonylpurine-2,6-dione
Also Known As: BAS 00396577, 8-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-methyl-7-nonylpurine-2,6-dione, (Z)-8-((3-chlorobut-2-en-1-yl)thio)-3-methyl-7-nonyl-1H-purine-2,6(3H,7H)-dione, 8-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-7-nonyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C19H29ClN4O2S |
|---|---|
| Molecular Weight | 412.17 g/mol |
| LogP | 4.4086 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 412.16998 |
| Heavy Atoms | 27 |
| Complexity | 893.4723 |
Chemical Identifiers
| CAS Number | 331672-03-8 |
|---|---|
| SMILES | CCCCCCCCCN1C2=C(N=C1SC/C=C(/C)\Cl)N(C(=O)NC2=O)C |
Product Overview
BAS 00396577 (CAS 331672-03-8), with molecular formula C19H29ClN4O2S and molecular weight 412.17 g/mol. IUPAC: 8-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-methyl-7-nonylpurine-2,6-dione.
Chemical Property Profile of BAS 00396577
Property Insights of BAS 00396577
The XLogP value of 4.4086 indicates that BAS 00396577 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00396577. Following Lipinski's Rule of Five, BAS 00396577 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 00396577?
The CAS number of BAS 00396577 is 331672-03-8.
What is the molecular formula of BAS 00396577?
The molecular formula of BAS 00396577 is C19H29ClN4O2S.
What is the molecular weight of BAS 00396577?
The molecular weight of BAS 00396577 is 412.17 g/mol.
Where can I buy BAS 00396577?
You can request a quote for BAS 00396577 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00396577?
Yes, KEHONG BIO provides custom synthesis services for BAS 00396577 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.