BRD-K69913549-001-01-3
TL;DR: BRD-K69913549-001-01-3 (CAS 430450-19-4) is a chemical compound with molecular formula C18H19N5S and molecular weight 337.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)-4-[(E)-pyridin-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: BRD-K69913549-001-01-3, (E)-5-(4-(tert-butyl)phenyl)-4-((pyridin-2-ylmethylene)amino)-4H-1,2,4-triazole-3-thiol, 3-(4-tert-butylphenyl)-4-[(E)-pyridin-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione, 5-(4-tert-butylphenyl)-4-[(2-pyridinylmethylene)amino]-4H-1,2,4-triazole-3-thiol, 5-(4-tert-butylphenyl)-4-{[(E)-2-pyridinylmethylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide
| Molecular Formula | C18H19N5S |
|---|---|
| Molecular Weight | 337.14 g/mol |
| LogP | 4.18239 |
| Topological Polar Surface Area | 58.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.1361 |
| Heavy Atoms | 24 |
| Complexity | 899.07733 |
Chemical Identifiers
| CAS Number | 430450-19-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C3=CC=CC=N3 |
Product Overview
BRD-K69913549-001-01-3 (CAS 430450-19-4), with molecular formula C18H19N5S and molecular weight 337.14 g/mol. IUPAC: 3-(4-tert-butylphenyl)-4-[(E)-pyridin-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of BRD-K69913549-001-01-3
Property Insights of BRD-K69913549-001-01-3
The XLogP value of 4.18239 indicates that BRD-K69913549-001-01-3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.86 Ų, BRD-K69913549-001-01-3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BRD-K69913549-001-01-3 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 BRD-K69913549-001-01-3?
The CAS number of BRD-K69913549-001-01-3 is 430450-19-4.
What is the molecular formula of BRD-K69913549-001-01-3?
The molecular formula of BRD-K69913549-001-01-3 is C18H19N5S.
What is the molecular weight of BRD-K69913549-001-01-3?
The molecular weight of BRD-K69913549-001-01-3 is 337.14 g/mol.
Where can I buy BRD-K69913549-001-01-3?
You can request a quote for BRD-K69913549-001-01-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-K69913549-001-01-3?
Yes, KEHONG BIO provides custom synthesis services for BRD-K69913549-001-01-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.