BAS 01172415
TL;DR: BAS 01172415 (CAS 311787-95-8) is a chemical compound with molecular formula C22H17BrN4O3S and molecular weight 496.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-bromophenyl)-5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole
Also Known As: BAS 01172415, A1584/0068843, 3-(3-bromophenyl)-5-((4-methoxy-3-nitrobenzyl)thio)-4-phenyl-4H-1,2,4-triazole, 3-(3-bromophenyl)-5-({3-nitro-4-methoxybenzyl}sulfanyl)-4-phenyl-4H-1,2,4-triazole, 3-(3-bromophenyl)-5-[(4-methoxy-3-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole
| Molecular Formula | C22H17BrN4O3S |
|---|---|
| Molecular Weight | 496.02 g/mol |
| LogP | 5.9059 |
| Topological Polar Surface Area | 83.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 496.02048 |
| Heavy Atoms | 31 |
| Complexity | 1230.6704 |
Chemical Identifiers
| CAS Number | 311787-95-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)Br)[N+](=O)[O-] |
Product Overview
BAS 01172415 (CAS 311787-95-8), with molecular formula C22H17BrN4O3S and molecular weight 496.02 g/mol. IUPAC: 3-(3-bromophenyl)-5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole.
Chemical Property Profile of BAS 01172415
Property Insights of BAS 01172415
The XLogP value of 5.9059 indicates that BAS 01172415 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.08 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01172415. Following Lipinski's Rule of Five, BAS 01172415 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01172415?
The CAS number of BAS 01172415 is 311787-95-8.
What is the molecular formula of BAS 01172415?
The molecular formula of BAS 01172415 is C22H17BrN4O3S.
What is the molecular weight of BAS 01172415?
The molecular weight of BAS 01172415 is 496.02 g/mol.
Where can I buy BAS 01172415?
You can request a quote for BAS 01172415 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01172415?
Yes, KEHONG BIO provides custom synthesis services for BAS 01172415 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.