ChemDiv1_002705
TL;DR: ChemDiv1_002705 (CAS 329073-90-7) is a chemical compound with molecular formula C28H29NO5S and molecular weight 491.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanylethyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_002705, BAS 01251293, 2-(ethylsulfanyl)ethyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-(ETHYLSULFANYL)ETHYL 4-(2H-1,3-BENZODIOXOL-5-YL)-2-METHYL-5-OXO-7-PHENYL-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXYLATE, 2-(ethylthio)ethyl 4-(benzo[d][1,3]dioxol-5-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C28H29NO5S |
|---|---|
| Molecular Weight | 491.18 g/mol |
| LogP | 5.0732 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 491.17664 |
| Heavy Atoms | 35 |
| Complexity | 1203.0833 |
Chemical Identifiers
| CAS Number | 329073-90-7 |
|---|---|
| SMILES | CCSCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)CC(C2)C5=CC=CC=C5)C |
Product Overview
ChemDiv1_002705 (CAS 329073-90-7), with molecular formula C28H29NO5S and molecular weight 491.18 g/mol. IUPAC: 2-ethylsulfanylethyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_002705
Property Insights of ChemDiv1_002705
The XLogP value of 5.0732 indicates that ChemDiv1_002705 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002705. Following Lipinski's Rule of Five, ChemDiv1_002705 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_002705?
The CAS number of ChemDiv1_002705 is 329073-90-7.
What is the molecular formula of ChemDiv1_002705?
The molecular formula of ChemDiv1_002705 is C28H29NO5S.
What is the molecular weight of ChemDiv1_002705?
The molecular weight of ChemDiv1_002705 is 491.18 g/mol.
Where can I buy ChemDiv1_002705?
You can request a quote for ChemDiv1_002705 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002705?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002705 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.