F0601-0102
TL;DR: F0601-0102 (CAS 689751-47-1) is a chemical compound with molecular formula C21H22N4O4S and molecular weight 426.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-(4-methoxyphenyl)-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: F0601-0102, methyl 2-{[4-(4-methoxyphenyl)-5-{[(3-methylphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, methyl 2-((4-(4-methoxyphenyl)-5-((3-methylbenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate, methyl 2-[[4-(4-methoxyphenyl)-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C21H22N4O4S |
|---|---|
| Molecular Weight | 426.14 g/mol |
| LogP | 2.77942 |
| Topological Polar Surface Area | 95.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 426.13617 |
| Heavy Atoms | 30 |
| Complexity | 1033.7406 |
Chemical Identifiers
| CAS Number | 689751-47-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)OC |
Product Overview
F0601-0102 (CAS 689751-47-1), with molecular formula C21H22N4O4S and molecular weight 426.14 g/mol. IUPAC: methyl 2-[[4-(4-methoxyphenyl)-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of F0601-0102
Property Insights of F0601-0102
The XLogP value of 2.77942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0601-0102. The TPSA of 95.34 Ų falls within the moderate polarity range, balancing permeability and solubility for F0601-0102. Following Lipinski's Rule of Five, F0601-0102 has 1 hydrogen bond donor(s) and 7 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 F0601-0102?
The CAS number of F0601-0102 is 689751-47-1.
What is the molecular formula of F0601-0102?
The molecular formula of F0601-0102 is C21H22N4O4S.
What is the molecular weight of F0601-0102?
The molecular weight of F0601-0102 is 426.14 g/mol.
Where can I buy F0601-0102?
You can request a quote for F0601-0102 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0601-0102?
Yes, KEHONG BIO provides custom synthesis services for F0601-0102 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.