F0653-0461
TL;DR: F0653-0461 (CAS 852145-57-4) is a chemical compound with molecular formula C21H20N4O3S and molecular weight 408.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate
Also Known As: F0653-0461, methyl 2-((5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)propanoate, methyl 2-{[5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate, methyl 2-[[5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate, methyl 2-[[5-indol-3-ylidene-4-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate
| Molecular Formula | C21H20N4O3S |
|---|---|
| Molecular Weight | 408.13 g/mol |
| LogP | 4.0778 |
| Topological Polar Surface Area | 82.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.1256 |
| Heavy Atoms | 29 |
| Complexity | 1167.6702 |
Chemical Identifiers
| CAS Number | 852145-57-4 |
|---|---|
| SMILES | CC(C(=O)OC)SC1=NN=C(N1C2=CC(=CC=C2)OC)C3=CNC4=CC=CC=C43 |
Product Overview
F0653-0461 (CAS 852145-57-4), with molecular formula C21H20N4O3S and molecular weight 408.13 g/mol. IUPAC: methyl 2-[[5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate.
Chemical Property Profile of F0653-0461
Property Insights of F0653-0461
The XLogP value of 4.0778 indicates that F0653-0461 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.03 Ų falls within the moderate polarity range, balancing permeability and solubility for F0653-0461. Following Lipinski's Rule of Five, F0653-0461 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 F0653-0461?
The CAS number of F0653-0461 is 852145-57-4.
What is the molecular formula of F0653-0461?
The molecular formula of F0653-0461 is C21H20N4O3S.
What is the molecular weight of F0653-0461?
The molecular weight of F0653-0461 is 408.13 g/mol.
Where can I buy F0653-0461?
You can request a quote for F0653-0461 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0653-0461?
Yes, KEHONG BIO provides custom synthesis services for F0653-0461 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.