BRD-K86194042-001-01-1
TL;DR: BRD-K86194042-001-01-1 (CAS 496797-41-2) is a chemical compound with molecular formula C15H15N5OS and molecular weight 313.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
Also Known As: BRD-K86194042-001-01-1, 4-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione, 4-{[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]amino}-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(1-methylpyrrol-2-yl)-1-azavinyl]-5-(phenoxymethyl)-1,2,4-triazole-3 -thiol, (E)-4-(((1-methyl-1H-pyrrol-2-yl)methylene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C15H15N5OS |
|---|---|
| Molecular Weight | 313.10 g/mol |
| LogP | 2.74039 |
| Topological Polar Surface Area | 60.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.09973 |
| Heavy Atoms | 22 |
| Complexity | 830.9973 |
Chemical Identifiers
| CAS Number | 496797-41-2 |
|---|---|
| SMILES | CN1C=CC=C1/C=N/N2C(=NNC2=S)COC3=CC=CC=C3 |
Product Overview
BRD-K86194042-001-01-1 (CAS 496797-41-2), with molecular formula C15H15N5OS and molecular weight 313.10 g/mol. IUPAC: 4-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of BRD-K86194042-001-01-1
Property Insights of BRD-K86194042-001-01-1
The XLogP value of 2.74039 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRD-K86194042-001-01-1. The TPSA of 60.13 Ų falls within the moderate polarity range, balancing permeability and solubility for BRD-K86194042-001-01-1. Following Lipinski's Rule of Five, BRD-K86194042-001-01-1 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-K86194042-001-01-1?
The CAS number of BRD-K86194042-001-01-1 is 496797-41-2.
What is the molecular formula of BRD-K86194042-001-01-1?
The molecular formula of BRD-K86194042-001-01-1 is C15H15N5OS.
What is the molecular weight of BRD-K86194042-001-01-1?
The molecular weight of BRD-K86194042-001-01-1 is 313.10 g/mol.
Where can I buy BRD-K86194042-001-01-1?
You can request a quote for BRD-K86194042-001-01-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-K86194042-001-01-1?
Yes, KEHONG BIO provides custom synthesis services for BRD-K86194042-001-01-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.