F0601-0096
TL;DR: F0601-0096 (CAS 689751-16-4) is a chemical compound with molecular formula C15H18N4O3S and molecular weight 334.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-methyl-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: F0601-0096, methyl 2-((4-methyl-5-((3-methylbenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate, methyl 2-[[4-methyl-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate, methyl 2-[(4-methyl-5-{[(3-methylphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetate, methyl {4-methyl-5-[(m-toluoylamino)methyl]-4H-1,2,4-triazol-3-ylthio}acetate
| Molecular Formula | C15H18N4O3S |
|---|---|
| Molecular Weight | 334.11 g/mol |
| LogP | 1.31862 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 334.10995 |
| Heavy Atoms | 23 |
| Complexity | 714.4976 |
Chemical Identifiers
| CAS Number | 689751-16-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NCC2=NN=C(N2C)SCC(=O)OC |
Product Overview
F0601-0096 (CAS 689751-16-4), with molecular formula C15H18N4O3S and molecular weight 334.11 g/mol. IUPAC: methyl 2-[[4-methyl-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of F0601-0096
Property Insights of F0601-0096
The XLogP value of 1.31862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0601-0096. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for F0601-0096. Following Lipinski's Rule of Five, F0601-0096 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 F0601-0096?
The CAS number of F0601-0096 is 689751-16-4.
What is the molecular formula of F0601-0096?
The molecular formula of F0601-0096 is C15H18N4O3S.
What is the molecular weight of F0601-0096?
The molecular weight of F0601-0096 is 334.11 g/mol.
Where can I buy F0601-0096?
You can request a quote for F0601-0096 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0601-0096?
Yes, KEHONG BIO provides custom synthesis services for F0601-0096 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.