C15H10BrClN4S
TL;DR: C15H10BrClN4S (CAS 488094-82-2) is a chemical compound with molecular formula C15H10BrClN4S and molecular weight 391.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(2-bromophenyl)methylideneamino]-3-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((2-bromobenzylidene)amino)-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol, 4-((2-BROMOBENZYLIDENE)AMINO)-5-(4-CL-PHENYL)-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE, 4-[(E)-(2-bromophenyl)methylideneamino]-3-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione, 4-{[(E)-(2-bromophenyl)methylidene]amino}-5-(4-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C15H10BrClN4S |
|---|---|
| Molecular Weight | 391.95 g/mol |
| LogP | 4.90579 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.9498 |
| Heavy Atoms | 22 |
| Complexity | 883.05817 |
Chemical Identifiers
| CAS Number | 488094-82-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=N/N2C(=NNC2=S)C3=CC=C(C=C3)Cl)Br |
Product Overview
C15H10BrClN4S (CAS 488094-82-2), with molecular formula C15H10BrClN4S and molecular weight 391.95 g/mol. IUPAC: 4-[(E)-(2-bromophenyl)methylideneamino]-3-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of C15H10BrClN4S
Property Insights of C15H10BrClN4S
The XLogP value of 4.90579 indicates that C15H10BrClN4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.97 Ų, C15H10BrClN4S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C15H10BrClN4S has 1 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 C15H10BrClN4S?
The CAS number of C15H10BrClN4S is 488094-82-2.
What is the molecular formula of C15H10BrClN4S?
The molecular formula of C15H10BrClN4S is C15H10BrClN4S.
What is the molecular weight of C15H10BrClN4S?
The molecular weight of C15H10BrClN4S is 391.95 g/mol.
Where can I buy C15H10BrClN4S?
You can request a quote for C15H10BrClN4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C15H10BrClN4S?
Yes, KEHONG BIO provides custom synthesis services for C15H10BrClN4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.