F0545-0731
TL;DR: F0545-0731 (CAS 681279-87-8) is a chemical compound with molecular formula C37H37N3O4S and molecular weight 619.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(2,3-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanylethanone
Also Known As: F0545-0731, 1-(5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-((1-(2,5-dimethylbenzyl)-1H-indol-3-yl)thio)ethanone, 1-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-({1-[(2,5-dimethylphenyl)methyl]-1H-indol-3-yl}sulfanyl)ethan-1-one, 1-[3-(2,3-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanylethanone
| Molecular Formula | C37H37N3O4S |
|---|---|
| Molecular Weight | 619.25 g/mol |
| LogP | 7.80224 |
| Topological Polar Surface Area | 65.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 619.2505 |
| Heavy Atoms | 45 |
| Complexity | 1879.2173 |
Chemical Identifiers
| CAS Number | 681279-87-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CN2C=C(C3=CC=CC=C32)SCC(=O)N4C(CC(=N4)C5=CC=C(C=C5)OC)C6=C(C(=CC=C6)OC)OC |
Product Overview
F0545-0731 (CAS 681279-87-8), with molecular formula C37H37N3O4S and molecular weight 619.25 g/mol. IUPAC: 1-[3-(2,3-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanylethanone.
Chemical Property Profile of F0545-0731
Property Insights of F0545-0731
The XLogP value of 7.80224 indicates that F0545-0731 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.29 Ų falls within the moderate polarity range, balancing permeability and solubility for F0545-0731. Following Lipinski's Rule of Five, F0545-0731 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0545-0731?
The CAS number of F0545-0731 is 681279-87-8.
What is the molecular formula of F0545-0731?
The molecular formula of F0545-0731 is C37H37N3O4S.
What is the molecular weight of F0545-0731?
The molecular weight of F0545-0731 is 619.25 g/mol.
Where can I buy F0545-0731?
You can request a quote for F0545-0731 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0545-0731?
Yes, KEHONG BIO provides custom synthesis services for F0545-0731 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.