F0545-0397
TL;DR: F0545-0397 (CAS 681276-16-4) is a chemical compound with molecular formula C33H31N3O3S2 and molecular weight 581.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[1-[(3-methylphenyl)methyl]indol-3-yl]sulfanylethanone
Also Known As: F0545-0397, 1-(5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-2-((1-(3-methylbenzyl)-1H-indol-3-yl)thio)ethanone, 1-[5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-({1-[(3-methylphenyl)methyl]-1H-indol-3-yl}sulfanyl)ethan-1-one, 1-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[1-[(3-methylphenyl)methyl]indol-3-yl]sulfanylethanone
| Molecular Formula | C33H31N3O3S2 |
|---|---|
| Molecular Weight | 581.18 g/mol |
| LogP | 7.54672 |
| Topological Polar Surface Area | 56.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 581.18066 |
| Heavy Atoms | 41 |
| Complexity | 1725.1726 |
Chemical Identifiers
| CAS Number | 681276-16-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C=C(C3=CC=CC=C32)SCC(=O)N4C(CC(=N4)C5=CC=CS5)C6=C(C(=CC=C6)OC)OC |
Product Overview
F0545-0397 (CAS 681276-16-4), with molecular formula C33H31N3O3S2 and molecular weight 581.18 g/mol. IUPAC: 1-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[1-[(3-methylphenyl)methyl]indol-3-yl]sulfanylethanone.
Chemical Property Profile of F0545-0397
Property Insights of F0545-0397
The XLogP value of 7.54672 indicates that F0545-0397 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.06 Ų, F0545-0397 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0545-0397 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 F0545-0397?
The CAS number of F0545-0397 is 681276-16-4.
What is the molecular formula of F0545-0397?
The molecular formula of F0545-0397 is C33H31N3O3S2.
What is the molecular weight of F0545-0397?
The molecular weight of F0545-0397 is 581.18 g/mol.
Where can I buy F0545-0397?
You can request a quote for F0545-0397 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0545-0397?
Yes, KEHONG BIO provides custom synthesis services for F0545-0397 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.