F0601-0114
TL;DR: F0601-0114 (CAS 689752-11-2) is a chemical compound with molecular formula C18H23N5O5S2 and molecular weight 453.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-methyl-5-[[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: F0601-0114, methyl 2-[[4-methyl-5-[[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate, methyl 2-((4-methyl-5-((4-(pyrrolidin-1-ylsulfonyl)benzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate, methyl 2-{[4-methyl-5-({[4-(pyrrolidine-1-sulfonyl)phenyl]formamido}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
| Molecular Formula | C18H23N5O5S2 |
|---|---|
| Molecular Weight | 453.11 g/mol |
| LogP | 0.7947 |
| Topological Polar Surface Area | 123.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 453.11407 |
| Heavy Atoms | 30 |
| Complexity | 1014.08813 |
Chemical Identifiers
| CAS Number | 689752-11-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)OC)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 |
Product Overview
F0601-0114 (CAS 689752-11-2), with molecular formula C18H23N5O5S2 and molecular weight 453.11 g/mol. IUPAC: methyl 2-[[4-methyl-5-[[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of F0601-0114
Property Insights of F0601-0114
The XLogP value of 0.7947 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0601-0114. The TPSA of 123.49 Ų falls within the moderate polarity range, balancing permeability and solubility for F0601-0114. Following Lipinski's Rule of Five, F0601-0114 has 1 hydrogen bond donor(s) and 8 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 F0601-0114?
The CAS number of F0601-0114 is 689752-11-2.
What is the molecular formula of F0601-0114?
The molecular formula of F0601-0114 is C18H23N5O5S2.
What is the molecular weight of F0601-0114?
The molecular weight of F0601-0114 is 453.11 g/mol.
Where can I buy F0601-0114?
You can request a quote for F0601-0114 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0601-0114?
Yes, KEHONG BIO provides custom synthesis services for F0601-0114 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.