F0545-0729
TL;DR: F0545-0729 (CAS 681279-85-6) is a chemical compound with molecular formula C36H35N3O3S and molecular weight 589.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanylethanone
Also Known As: F0545-0729, 1-(3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-((1-(2,5-dimethylbenzyl)-1H-indol-3-yl)thio)ethanone, 1-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-({1-[(2,5-dimethylphenyl)methyl]-1H-indol-3-yl}sulfanyl)ethan-1-one, 1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanylethanone
| Molecular Formula | C36H35N3O3S |
|---|---|
| Molecular Weight | 589.24 g/mol |
| LogP | 7.79364 |
| Topological Polar Surface Area | 56.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 589.2399 |
| Heavy Atoms | 43 |
| Complexity | 1791.6188 |
Chemical Identifiers
| CAS Number | 681279-85-6 |
|---|---|
| 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=CC=C(C=C6)OC |
Product Overview
F0545-0729 (CAS 681279-85-6), with molecular formula C36H35N3O3S and molecular weight 589.24 g/mol. IUPAC: 1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanylethanone.
Chemical Property Profile of F0545-0729
Property Insights of F0545-0729
The XLogP value of 7.79364 indicates that F0545-0729 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.06 Ų, F0545-0729 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0545-0729 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0545-0729?
The CAS number of F0545-0729 is 681279-85-6.
What is the molecular formula of F0545-0729?
The molecular formula of F0545-0729 is C36H35N3O3S.
What is the molecular weight of F0545-0729?
The molecular weight of F0545-0729 is 589.24 g/mol.
Where can I buy F0545-0729?
You can request a quote for F0545-0729 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0545-0729?
Yes, KEHONG BIO provides custom synthesis services for F0545-0729 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.