5-(3-BR-PH)-4-PH-2-(PH-Phenylamino-methyl)-2,4-dihydro-(1,2,4)triazole-3-thione
TL;DR: 5-(3-BR-PH)-4-PH-2-(PH-Phenylamino-methyl)-2,4-dihydro-(1,2,4)triazole-3-thione (CAS 633300-95-5) is a chemical compound with molecular formula C27H21BrN4S and molecular weight 512.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[anilino(phenyl)methyl]-5-(3-bromophenyl)-4-phenyl-1,2,4-triazole-3-thione
Also Known As: 2-(anilino-phenyl-methyl)-5-(3-bromophenyl)-4-phenyl-1,2,4-triazole-3-thione, 2-[(S)-anilino(phenyl)methyl]-5-(3-bromophenyl)-4-phenyl-1,2,4-triazole-3-thione, 2-[anilino(phenyl)methyl]-5-(3-bromophenyl)-4-phenyl-1,2,4-triazole-3-thione, 5-(3-BR-PH)-4-PH-2-(PH-PHENYLAMINO-METHYL)-2,4-DIHYDRO-(1,2,4)TRIAZOLE-3-THIONE
| Molecular Formula | C27H21BrN4S |
|---|---|
| Molecular Weight | 512.07 g/mol |
| LogP | 7.49179 |
| Topological Polar Surface Area | 34.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 512.067 |
| Heavy Atoms | 33 |
| Complexity | 1413.2549 |
Chemical Identifiers
| CAS Number | 633300-95-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(NC2=CC=CC=C2)N3C(=S)N(C(=N3)C4=CC(=CC=C4)Br)C5=CC=CC=C5 |
Product Overview
5-(3-BR-PH)-4-PH-2-(PH-Phenylamino-methyl)-2,4-dihydro-(1,2,4)triazole-3-thione (CAS 633300-95-5), with molecular formula C27H21BrN4S and molecular weight 512.07 g/mol. IUPAC: 2-[anilino(phenyl)methyl]-5-(3-bromophenyl)-4-phenyl-1,2,4-triazole-3-thione.
Chemical Property Profile of 5-(3-BR-PH)-4-PH-2-(PH-Phenylamino-methyl)-2,4-dihydro-(1,2,4)triazole-3-thione
Property Insights of 5-(3-BR-PH)-4-PH-2-(PH-Phenylamino-methyl)-2,4-dihydro-(1,2,4)triazole-3-thione
The XLogP value of 7.49179 indicates that 5-(3-BR-PH)-4-PH-2-(PH-Phenylamino-methyl)-2,4-dihydro-(1,2,4)triazole-3-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.78 Ų, 5-(3-BR-PH)-4-PH-2-(PH-Phenylamino-methyl)-2,4-dihydro-(1,2,4)triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-BR-PH)-4-PH-2-(PH-Phenylamino-methyl)-2,4-dihydro-(1,2,4)triazole-3-thione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(3-BR-PH)-4-PH-2-(PH-Phenylamino-methyl)-2,4-dihydro-(1,2,4)triazole-3-thione?
The CAS number of 5-(3-BR-PH)-4-PH-2-(PH-Phenylamino-methyl)-2,4-dihydro-(1,2,4)triazole-3-thione is 633300-95-5.
What is the molecular formula of 5-(3-BR-PH)-4-PH-2-(PH-Phenylamino-methyl)-2,4-dihydro-(1,2,4)triazole-3-thione?
The molecular formula of 5-(3-BR-PH)-4-PH-2-(PH-Phenylamino-methyl)-2,4-dihydro-(1,2,4)triazole-3-thione is C27H21BrN4S.
What is the molecular weight of 5-(3-BR-PH)-4-PH-2-(PH-Phenylamino-methyl)-2,4-dihydro-(1,2,4)triazole-3-thione?
The molecular weight of 5-(3-BR-PH)-4-PH-2-(PH-Phenylamino-methyl)-2,4-dihydro-(1,2,4)triazole-3-thione is 512.07 g/mol.
Where can I buy 5-(3-BR-PH)-4-PH-2-(PH-Phenylamino-methyl)-2,4-dihydro-(1,2,4)triazole-3-thione?
You can request a quote for 5-(3-BR-PH)-4-PH-2-(PH-Phenylamino-methyl)-2,4-dihydro-(1,2,4)triazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-BR-PH)-4-PH-2-(PH-Phenylamino-methyl)-2,4-dihydro-(1,2,4)triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-BR-PH)-4-PH-2-(PH-Phenylamino-methyl)-2,4-dihydro-(1,2,4)triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.