ChemDiv1_009313
TL;DR: ChemDiv1_009313 (CAS 421573-79-7) is a chemical compound with molecular formula C27H33N3O2S2 and molecular weight 495.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-ethyl-2-ethylsulfanylthiophen-3-yl)-2,7,7-trimethyl-N-(6-methyl-2-pyridinyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
Also Known As: ChemDiv1_009313, 4-(5-Ethyl-2-(ethylthio)thiophen-3-yl)-2,7,7-trimethyl-N-(6-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide, 4-[5-ethyl-2-(ethylthio)-3-thienyl]-2,7,7-trimethyl-N-(6-methyl-2-pyridinyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide, 4-(5-ethyl-2-ethylsulfanylthiophen-3-yl)-2,7,7-trimethyl-N-(6-methylpyridin-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide, 4-[5-ethyl-2-(ethylsulfanyl)-3-thienyl]-2,7,7-trimethyl-N-(6-methyl-2-pyridinyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
| Molecular Formula | C27H33N3O2S2 |
|---|---|
| Molecular Weight | 495.20 g/mol |
| LogP | 6.36862 |
| Topological Polar Surface Area | 71.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 495.20142 |
| Heavy Atoms | 34 |
| Complexity | 1206.2074 |
Chemical Identifiers
| CAS Number | 421573-79-7 |
|---|---|
| SMILES | CCC1=CC(=C(S1)SCC)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)NC4=CC=CC(=N4)C)C |
Product Overview
ChemDiv1_009313 (CAS 421573-79-7), with molecular formula C27H33N3O2S2 and molecular weight 495.20 g/mol. IUPAC: 4-(5-ethyl-2-ethylsulfanylthiophen-3-yl)-2,7,7-trimethyl-N-(6-methyl-2-pyridinyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide.
Chemical Property Profile of ChemDiv1_009313
Property Insights of ChemDiv1_009313
The XLogP value of 6.36862 indicates that ChemDiv1_009313 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.09 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009313. Following Lipinski's Rule of Five, ChemDiv1_009313 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 ChemDiv1_009313?
The CAS number of ChemDiv1_009313 is 421573-79-7.
What is the molecular formula of ChemDiv1_009313?
The molecular formula of ChemDiv1_009313 is C27H33N3O2S2.
What is the molecular weight of ChemDiv1_009313?
The molecular weight of ChemDiv1_009313 is 495.20 g/mol.
Where can I buy ChemDiv1_009313?
You can request a quote for ChemDiv1_009313 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009313?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009313 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.