A3529/0149491
TL;DR: A3529/0149491 (CAS 1087758-41-5) is a chemical compound with molecular formula C18H13ClF3N3S and molecular weight 395.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(1R,2R)-2-phenylcyclopropyl]-1H-1,2,4-triazole-5-thione
Also Known As: A3529/0149491, 4-((S)-2-chloro-5-(trifluoromethyl)phenyl)-5-((1R,2R)-2-phenylcyclopropyl)-4H-1,2,4-triazole-3-thiol, 4-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(1R,2R)-2-phenylcyclopropyl]-1H-1,2,4-triazole-5-thione, 4-[2-chloro-5-(trifluoromethyl)phenyl]-5-[(1R,2R)-2-phenylcyclopropyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-5-[(1R,2R)-2-PHENYLCYCLOPROPYL]-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE
| Molecular Formula | C18H13ClF3N3S |
|---|---|
| Molecular Weight | 395.05 g/mol |
| LogP | 5.87319 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 395.0471 |
| Heavy Atoms | 26 |
| Complexity | 1010.51105 |
Chemical Identifiers
| CAS Number | 1087758-41-5 |
|---|---|
| SMILES | C1[C@H]([C@@H]1C2=NNC(=S)N2C3=C(C=CC(=C3)C(F)(F)F)Cl)C4=CC=CC=C4 |
Product Overview
A3529/0149491 (CAS 1087758-41-5), with molecular formula C18H13ClF3N3S and molecular weight 395.05 g/mol. IUPAC: 4-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(1R,2R)-2-phenylcyclopropyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of A3529/0149491
Property Insights of A3529/0149491
The XLogP value of 5.87319 indicates that A3529/0149491 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.61 Ų, A3529/0149491 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3529/0149491 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3529/0149491?
The CAS number of A3529/0149491 is 1087758-41-5.
What is the molecular formula of A3529/0149491?
The molecular formula of A3529/0149491 is C18H13ClF3N3S.
What is the molecular weight of A3529/0149491?
The molecular weight of A3529/0149491 is 395.05 g/mol.
Where can I buy A3529/0149491?
You can request a quote for A3529/0149491 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3529/0149491?
Yes, KEHONG BIO provides custom synthesis services for A3529/0149491 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.