BAS 08203652
TL;DR: BAS 08203652 (CAS 727662-44-4) is a chemical compound with molecular formula C13H13ClN4OS and molecular weight 308.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide
Also Known As: BAS 08203652, A3728/0158022, 3-chloro-N-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide, N-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-3-chloro-benzamide, 3-chloro-N-{[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
| Molecular Formula | C13H13ClN4OS |
|---|---|
| Molecular Weight | 308.05 g/mol |
| LogP | 2.71009 |
| Topological Polar Surface Area | 62.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.04987 |
| Heavy Atoms | 20 |
| Complexity | 691.67474 |
Chemical Identifiers
| CAS Number | 727662-44-4 |
|---|---|
| SMILES | C=CCN1C(=NNC1=S)CNC(=O)C2=CC(=CC=C2)Cl |
Product Overview
BAS 08203652 (CAS 727662-44-4), with molecular formula C13H13ClN4OS and molecular weight 308.05 g/mol. IUPAC: 3-chloro-N-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide.
Chemical Property Profile of BAS 08203652
Property Insights of BAS 08203652
The XLogP value of 2.71009 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 08203652. The TPSA of 62.71 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 08203652. Following Lipinski's Rule of Five, BAS 08203652 has 2 hydrogen bond donor(s) and 3 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 08203652?
The CAS number of BAS 08203652 is 727662-44-4.
What is the molecular formula of BAS 08203652?
The molecular formula of BAS 08203652 is C13H13ClN4OS.
What is the molecular weight of BAS 08203652?
The molecular weight of BAS 08203652 is 308.05 g/mol.
Where can I buy BAS 08203652?
You can request a quote for BAS 08203652 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 08203652?
Yes, KEHONG BIO provides custom synthesis services for BAS 08203652 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.