F1016-0512
TL;DR: F1016-0512 (CAS 403836-59-9) is a chemical compound with molecular formula C21H21BrN2O3S and molecular weight 460.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-[5-(4-bromophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanylacetate
Also Known As: F1016-0512, methyl 2-((2-(3-(4-bromophenyl)-5-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl)thio)acetate, methyl 2-({2-[3-(4-bromophenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)acetate, methyl 2-[2-[5-(4-bromophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanylacetate
| Molecular Formula | C21H21BrN2O3S |
|---|---|
| Molecular Weight | 460.05 g/mol |
| LogP | 4.34142 |
| Topological Polar Surface Area | 58.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.04562 |
| Heavy Atoms | 28 |
| Complexity | 881.5286 |
Chemical Identifiers
| CAS Number | 403836-59-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSCC(=O)OC)C3=CC=C(C=C3)Br |
Product Overview
F1016-0512 (CAS 403836-59-9), with molecular formula C21H21BrN2O3S and molecular weight 460.05 g/mol. IUPAC: methyl 2-[2-[5-(4-bromophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanylacetate.
Chemical Property Profile of F1016-0512
Property Insights of F1016-0512
The XLogP value of 4.34142 indicates that F1016-0512 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.97 Ų, F1016-0512 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F1016-0512 has 0 hydrogen bond donor(s) and 5 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 F1016-0512?
The CAS number of F1016-0512 is 403836-59-9.
What is the molecular formula of F1016-0512?
The molecular formula of F1016-0512 is C21H21BrN2O3S.
What is the molecular weight of F1016-0512?
The molecular weight of F1016-0512 is 460.05 g/mol.
Where can I buy F1016-0512?
You can request a quote for F1016-0512 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1016-0512?
Yes, KEHONG BIO provides custom synthesis services for F1016-0512 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.