F0653-0227
TL;DR: F0653-0227 (CAS 852144-24-2) is a chemical compound with molecular formula C19H18N4O3S and molecular weight 382.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[[4-ethyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate
Also Known As: F0653-0227, methyl 5-({[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate, methyl 5-(((4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)furan-2-carboxylate, methyl 5-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate, methyl 5-[[(5Z)-4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate
| Molecular Formula | C19H18N4O3S |
|---|---|
| Molecular Weight | 382.11 g/mol |
| LogP | 4.1182 |
| Topological Polar Surface Area | 85.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.10995 |
| Heavy Atoms | 27 |
| Complexity | 1095.4723 |
Chemical Identifiers
| CAS Number | 852144-24-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC=C(O2)C(=O)OC)C3=CNC4=CC=CC=C43 |
Product Overview
F0653-0227 (CAS 852144-24-2), with molecular formula C19H18N4O3S and molecular weight 382.11 g/mol. IUPAC: methyl 5-[[4-ethyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate.
Chemical Property Profile of F0653-0227
Property Insights of F0653-0227
The XLogP value of 4.1182 indicates that F0653-0227 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.94 Ų falls within the moderate polarity range, balancing permeability and solubility for F0653-0227. Following Lipinski's Rule of Five, F0653-0227 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 F0653-0227?
The CAS number of F0653-0227 is 852144-24-2.
What is the molecular formula of F0653-0227?
The molecular formula of F0653-0227 is C19H18N4O3S.
What is the molecular weight of F0653-0227?
The molecular weight of F0653-0227 is 382.11 g/mol.
Where can I buy F0653-0227?
You can request a quote for F0653-0227 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0653-0227?
Yes, KEHONG BIO provides custom synthesis services for F0653-0227 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.