BAS 08861309
TL;DR: BAS 08861309 (CAS 694468-10-5) is a chemical compound with molecular formula C15H19ClN4OS and molecular weight 338.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[1-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-methylpropyl]benzamide
Also Known As: BAS 08861309, 2-chloro-N-[1-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2-methylpropyl]benzamide, 2-chloro-N-[1-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-methylpropyl]benzamide
| Molecular Formula | C15H19ClN4OS |
|---|---|
| Molecular Weight | 338.10 g/mol |
| LogP | 3.74109 |
| Topological Polar Surface Area | 62.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.0968 |
| Heavy Atoms | 22 |
| Complexity | 722.3277 |
Chemical Identifiers
| CAS Number | 694468-10-5 |
|---|---|
| SMILES | CCN1C(=NNC1=S)C(C(C)C)NC(=O)C2=CC=CC=C2Cl |
Product Overview
BAS 08861309 (CAS 694468-10-5), with molecular formula C15H19ClN4OS and molecular weight 338.10 g/mol. IUPAC: 2-chloro-N-[1-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-methylpropyl]benzamide.
Chemical Property Profile of BAS 08861309
Property Insights of BAS 08861309
The XLogP value of 3.74109 indicates that BAS 08861309 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.71 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 08861309. Following Lipinski's Rule of Five, BAS 08861309 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 08861309?
The CAS number of BAS 08861309 is 694468-10-5.
What is the molecular formula of BAS 08861309?
The molecular formula of BAS 08861309 is C15H19ClN4OS.
What is the molecular weight of BAS 08861309?
The molecular weight of BAS 08861309 is 338.10 g/mol.
Where can I buy BAS 08861309?
You can request a quote for BAS 08861309 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 08861309?
Yes, KEHONG BIO provides custom synthesis services for BAS 08861309 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.