F0514-4512
TL;DR: F0514-4512 (CAS 393586-00-0) is a chemical compound with molecular formula C31H27FN6O5S2 and molecular weight 646.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[2-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
Also Known As: F0514-4512, N-((5-((2-(5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl)thio)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)methyl)furan-2-carboxamide, N-[[5-[2-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide, N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
| Molecular Formula | C31H27FN6O5S2 |
|---|---|
| Molecular Weight | 646.15 g/mol |
| LogP | 5.4781 |
| Topological Polar Surface Area | 124.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 646.14685 |
| Heavy Atoms | 45 |
| Complexity | 1823.4742 |
Chemical Identifiers
| CAS Number | 393586-00-0 |
|---|---|
| SMILES | COC1=CC=CC(=C1OC)C2CC(=NN2C(=O)CSC3=NN=C(N3C4=CC=C(C=C4)F)CNC(=O)C5=CC=CO5)C6=CC=CS6 |
Product Overview
F0514-4512 (CAS 393586-00-0), with molecular formula C31H27FN6O5S2 and molecular weight 646.15 g/mol. IUPAC: N-[[5-[2-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide.
Chemical Property Profile of F0514-4512
Property Insights of F0514-4512
The XLogP value of 5.4781 indicates that F0514-4512 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.08 Ų falls within the moderate polarity range, balancing permeability and solubility for F0514-4512. Following Lipinski's Rule of Five, F0514-4512 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0514-4512?
The CAS number of F0514-4512 is 393586-00-0.
What is the molecular formula of F0514-4512?
The molecular formula of F0514-4512 is C31H27FN6O5S2.
What is the molecular weight of F0514-4512?
The molecular weight of F0514-4512 is 646.15 g/mol.
Where can I buy F0514-4512?
You can request a quote for F0514-4512 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0514-4512?
Yes, KEHONG BIO provides custom synthesis services for F0514-4512 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.