BAS 01107516
TL;DR: BAS 01107516 (CAS 247571-53-5) is a chemical compound with molecular formula C18H18ClN5OS and molecular weight 387.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(anilinomethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chlorophenyl)propanamide
Also Known As: BAS 01107516, 2-[[5-(anilinomethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chlorophenyl)propanamide, N-(3-Chlorophenyl)-2-[[3-[(phenylamino)methyl]-1H-1,2,4-triazol-5-yl]thio]propanamide, 2-{[3-(anilinomethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}-N-(3-chlorophenyl)propanamide, 2-{[5-(Anilinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chlorophenyl)propanamide
| Molecular Formula | C18H18ClN5OS |
|---|---|
| Molecular Weight | 387.09 g/mol |
| LogP | 4.1895 |
| Topological Polar Surface Area | 82.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 387.09207 |
| Heavy Atoms | 26 |
| Complexity | 870.7827 |
Chemical Identifiers
| CAS Number | 247571-53-5 |
|---|---|
| SMILES | CC(C(=O)NC1=CC(=CC=C1)Cl)SC2=NNC(=N2)CNC3=CC=CC=C3 |
Product Overview
BAS 01107516 (CAS 247571-53-5), with molecular formula C18H18ClN5OS and molecular weight 387.09 g/mol. IUPAC: 2-[[5-(anilinomethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chlorophenyl)propanamide.
Chemical Property Profile of BAS 01107516
Property Insights of BAS 01107516
The XLogP value of 4.1895 indicates that BAS 01107516 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01107516. Following Lipinski's Rule of Five, BAS 01107516 has 3 hydrogen bond donor(s) and 5 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 01107516?
The CAS number of BAS 01107516 is 247571-53-5.
What is the molecular formula of BAS 01107516?
The molecular formula of BAS 01107516 is C18H18ClN5OS.
What is the molecular weight of BAS 01107516?
The molecular weight of BAS 01107516 is 387.09 g/mol.
Where can I buy BAS 01107516?
You can request a quote for BAS 01107516 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01107516?
Yes, KEHONG BIO provides custom synthesis services for BAS 01107516 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.