F2563-0231
TL;DR: F2563-0231 (CAS 896295-16-2) is a chemical compound with molecular formula C20H23N5O3S and molecular weight 413.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[(5-propyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: F2563-0231, ethyl 2-(2-{[5-propyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate, ethyl 2-[[2-[(5-propyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate, ethyl 2-[({[5-propyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate, ethyl 2-(2-((5-propyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate
| Molecular Formula | C20H23N5O3S |
|---|---|
| Molecular Weight | 413.15 g/mol |
| LogP | 3.251 |
| Topological Polar Surface Area | 91.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 413.15216 |
| Heavy Atoms | 29 |
| Complexity | 968.4193 |
Chemical Identifiers
| CAS Number | 896295-16-2 |
|---|---|
| SMILES | CCCC1=NN=C(N1N2C=CC=C2)SCC(=O)NC3=CC=CC=C3C(=O)OCC |
Product Overview
F2563-0231 (CAS 896295-16-2), with molecular formula C20H23N5O3S and molecular weight 413.15 g/mol. IUPAC: ethyl 2-[[2-[(5-propyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of F2563-0231
Property Insights of F2563-0231
The XLogP value of 3.251 indicates that F2563-0231 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.04 Ų falls within the moderate polarity range, balancing permeability and solubility for F2563-0231. Following Lipinski's Rule of Five, F2563-0231 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 F2563-0231?
The CAS number of F2563-0231 is 896295-16-2.
What is the molecular formula of F2563-0231?
The molecular formula of F2563-0231 is C20H23N5O3S.
What is the molecular weight of F2563-0231?
The molecular weight of F2563-0231 is 413.15 g/mol.
Where can I buy F2563-0231?
You can request a quote for F2563-0231 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2563-0231?
Yes, KEHONG BIO provides custom synthesis services for F2563-0231 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.