AB00090719-01
TL;DR: AB00090719-01 (CAS 352640-01-8) is a chemical compound with molecular formula C16H13BrN4OS and molecular weight 388.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: AB00090719-01, 4-{[(E)-(3-bromo-4-methoxyphenyl)methylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol, 4-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione, (E)-4-((3-bromo-4-methoxybenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol, 4-((3-BROMO-4-METHOXYBENZYLIDENE)AMINO)-5-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL
| Molecular Formula | C16H13BrN4OS |
|---|---|
| Molecular Weight | 388.00 g/mol |
| LogP | 4.26099 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.99933 |
| Heavy Atoms | 23 |
| Complexity | 901.9437 |
Chemical Identifiers
| CAS Number | 352640-01-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=C3)Br |
Product Overview
AB00090719-01 (CAS 352640-01-8), with molecular formula C16H13BrN4OS and molecular weight 388.00 g/mol. IUPAC: 4-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of AB00090719-01
Property Insights of AB00090719-01
The XLogP value of 4.26099 indicates that AB00090719-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, AB00090719-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00090719-01 has 1 hydrogen bond donor(s) and 4 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 AB00090719-01?
The CAS number of AB00090719-01 is 352640-01-8.
What is the molecular formula of AB00090719-01?
The molecular formula of AB00090719-01 is C16H13BrN4OS.
What is the molecular weight of AB00090719-01?
The molecular weight of AB00090719-01 is 388.00 g/mol.
Where can I buy AB00090719-01?
You can request a quote for AB00090719-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00090719-01?
Yes, KEHONG BIO provides custom synthesis services for AB00090719-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.