IFLab1_004929
TL;DR: IFLab1_004929 (CAS 342384-47-8) is a chemical compound with molecular formula C27H27N3O3S and molecular weight 473.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]-N-phenylacetamide
Also Known As: IFLab1_004929, AE-848/15115148, 2-((3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-phenylacetamide, 2-[[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]-N-phenylacetamide, F1155-0247
| Molecular Formula | C27H27N3O3S |
|---|---|
| Molecular Weight | 473.18 g/mol |
| LogP | 5.13228 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 473.1773 |
| Heavy Atoms | 34 |
| Complexity | 1207.9315 |
Chemical Identifiers
| CAS Number | 342384-47-8 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(N2)SCC(=O)NC3=CC=CC=C3)C#N)C4=CC=C(C=C4)OC)C(=O)C1)C |
Product Overview
IFLab1_004929 (CAS 342384-47-8), with molecular formula C27H27N3O3S and molecular weight 473.18 g/mol. IUPAC: 2-[[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]-N-phenylacetamide.
Chemical Property Profile of IFLab1_004929
Property Insights of IFLab1_004929
The XLogP value of 5.13228 indicates that IFLab1_004929 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004929. Following Lipinski's Rule of Five, IFLab1_004929 has 2 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 IFLab1_004929?
The CAS number of IFLab1_004929 is 342384-47-8.
What is the molecular formula of IFLab1_004929?
The molecular formula of IFLab1_004929 is C27H27N3O3S.
What is the molecular weight of IFLab1_004929?
The molecular weight of IFLab1_004929 is 473.18 g/mol.
Where can I buy IFLab1_004929?
You can request a quote for IFLab1_004929 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004929?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004929 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.