F0653-0307
TL;DR: F0653-0307 (CAS 852144-89-9) is a chemical compound with molecular formula C21H20N6O4S and molecular weight 452.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide
Also Known As: F0653-0307, 2-((5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-nitrophenyl)acetamide, 2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide, 2-[[(5Z)-5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide, 2-[[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide
| Molecular Formula | C21H20N6O4S |
|---|---|
| Molecular Weight | 452.13 g/mol |
| LogP | 3.7118 |
| Topological Polar Surface Area | 127.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 452.12668 |
| Heavy Atoms | 32 |
| Complexity | 1268.1587 |
Chemical Identifiers
| CAS Number | 852144-89-9 |
|---|---|
| SMILES | COCCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3=CNC4=CC=CC=C43 |
Product Overview
F0653-0307 (CAS 852144-89-9), with molecular formula C21H20N6O4S and molecular weight 452.13 g/mol. IUPAC: 2-[[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide.
Chemical Property Profile of F0653-0307
Property Insights of F0653-0307
The XLogP value of 3.7118 indicates that F0653-0307 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.97 Ų falls within the moderate polarity range, balancing permeability and solubility for F0653-0307. Following Lipinski's Rule of Five, F0653-0307 has 2 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 F0653-0307?
The CAS number of F0653-0307 is 852144-89-9.
What is the molecular formula of F0653-0307?
The molecular formula of F0653-0307 is C21H20N6O4S.
What is the molecular weight of F0653-0307?
The molecular weight of F0653-0307 is 452.13 g/mol.
Where can I buy F0653-0307?
You can request a quote for F0653-0307 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0653-0307?
Yes, KEHONG BIO provides custom synthesis services for F0653-0307 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.