BAS 13390046
TL;DR: BAS 13390046 (CAS 878437-79-7) is a chemical compound with molecular formula C17H18N4O3S and molecular weight 358.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
Also Known As: BAS 13390046, N-[[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide, Furan-2-carboxylic acid [4-methyl-5-(2-phenoxy-ethylsulfanyl)-4H-[1,2,4]triazol-3-ylmethyl]-amide, N-({4-methyl-5-[(2-phenoxyethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)furan-2-carboxamide
| Molecular Formula | C17H18N4O3S |
|---|---|
| Molecular Weight | 358.11 g/mol |
| LogP | 2.5092 |
| Topological Polar Surface Area | 82.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 358.10995 |
| Heavy Atoms | 25 |
| Complexity | 802.6795 |
Chemical Identifiers
| CAS Number | 878437-79-7 |
|---|---|
| SMILES | CN1C(=NN=C1SCCOC2=CC=CC=C2)CNC(=O)C3=CC=CO3 |
Product Overview
BAS 13390046 (CAS 878437-79-7), with molecular formula C17H18N4O3S and molecular weight 358.11 g/mol. IUPAC: N-[[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide.
Chemical Property Profile of BAS 13390046
Property Insights of BAS 13390046
The XLogP value of 2.5092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13390046. The TPSA of 82.18 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13390046. Following Lipinski's Rule of Five, BAS 13390046 has 1 hydrogen bond donor(s) and 6 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 BAS 13390046?
The CAS number of BAS 13390046 is 878437-79-7.
What is the molecular formula of BAS 13390046?
The molecular formula of BAS 13390046 is C17H18N4O3S.
What is the molecular weight of BAS 13390046?
The molecular weight of BAS 13390046 is 358.11 g/mol.
Where can I buy BAS 13390046?
You can request a quote for BAS 13390046 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13390046?
Yes, KEHONG BIO provides custom synthesis services for BAS 13390046 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.