BAS 08855389
TL;DR: BAS 08855389 (CAS 713098-72-7) is a chemical compound with molecular formula C14H17ClN4OS and molecular weight 324.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[2-methyl-1-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propyl]benzamide
Also Known As: BAS 08855389, 4-chloro-N-[2-methyl-1-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)propyl]benzamide, 4-Chloro-N-[1-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-2-methyl-propyl]-benzamide, 4-chloro-N-[2-methyl-1-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propyl]benzamide
| Molecular Formula | C14H17ClN4OS |
|---|---|
| Molecular Weight | 324.08 g/mol |
| LogP | 3.25819 |
| Topological Polar Surface Area | 62.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.08115 |
| Heavy Atoms | 21 |
| Complexity | 689.74475 |
Chemical Identifiers
| CAS Number | 713098-72-7 |
|---|---|
| SMILES | CC(C)C(C1=NNC(=S)N1C)NC(=O)C2=CC=C(C=C2)Cl |
Product Overview
BAS 08855389 (CAS 713098-72-7), with molecular formula C14H17ClN4OS and molecular weight 324.08 g/mol. IUPAC: 4-chloro-N-[2-methyl-1-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propyl]benzamide.
Chemical Property Profile of BAS 08855389
Property Insights of BAS 08855389
The XLogP value of 3.25819 indicates that BAS 08855389 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 08855389. Following Lipinski's Rule of Five, BAS 08855389 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 08855389?
The CAS number of BAS 08855389 is 713098-72-7.
What is the molecular formula of BAS 08855389?
The molecular formula of BAS 08855389 is C14H17ClN4OS.
What is the molecular weight of BAS 08855389?
The molecular weight of BAS 08855389 is 324.08 g/mol.
Where can I buy BAS 08855389?
You can request a quote for BAS 08855389 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 08855389?
Yes, KEHONG BIO provides custom synthesis services for BAS 08855389 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.