F3129-0105
TL;DR: F3129-0105 (CAS 443905-56-4) is a chemical compound with molecular formula C27H22ClN3O3S and molecular weight 503.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-benzoyl-4-chlorophenyl)-2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]acetamide
Also Known As: F3129-0105, N-[4-chloro-2-(phenylcarbonyl)phenyl]-2-[(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide, N-(2-benzoyl-4-chlorophenyl)-2-((3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetamide, N-(2-benzoyl-4-chlorophenyl)-2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]acetamide, N-(2-BENZOYL-4-CHLOROPHENYL)-2-[(3-CYANO-7,7-DIMETHYL-5-OXO-5,6,7,8-TETRAHYDROQUINOLIN-2-YL)SULFANYL]ACETAMIDE
| Molecular Formula | C27H22ClN3O3S |
|---|---|
| Molecular Weight | 503.11 g/mol |
| LogP | 5.72358 |
| Topological Polar Surface Area | 99.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 503.10703 |
| Heavy Atoms | 35 |
| Complexity | 1380.4092 |
Chemical Identifiers
| CAS Number | 443905-56-4 |
|---|---|
| SMILES | CC1(CC2=C(C=C(C(=N2)SCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4)C#N)C(=O)C1)C |
Product Overview
F3129-0105 (CAS 443905-56-4), with molecular formula C27H22ClN3O3S and molecular weight 503.11 g/mol. IUPAC: N-(2-benzoyl-4-chlorophenyl)-2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of F3129-0105
Property Insights of F3129-0105
The XLogP value of 5.72358 indicates that F3129-0105 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.92 Ų falls within the moderate polarity range, balancing permeability and solubility for F3129-0105. Following Lipinski's Rule of Five, F3129-0105 has 1 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 F3129-0105?
The CAS number of F3129-0105 is 443905-56-4.
What is the molecular formula of F3129-0105?
The molecular formula of F3129-0105 is C27H22ClN3O3S.
What is the molecular weight of F3129-0105?
The molecular weight of F3129-0105 is 503.11 g/mol.
Where can I buy F3129-0105?
You can request a quote for F3129-0105 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3129-0105?
Yes, KEHONG BIO provides custom synthesis services for F3129-0105 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.