ChemDiv1_018052
TL;DR: ChemDiv1_018052 (CAS 5804-65-9) is a chemical compound with molecular formula C29H33NO5S and molecular weight 507.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanylethyl 4-(4-methoxy-3-phenylmethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_018052, BIM-0015153.P001, A2551/0108619, 2-(ethylsulfanyl)ethyl 4-[3-(benzyloxy)-4-methoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-ethylsulfanylethyl 4-(4-methoxy-3-phenylmethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C29H33NO5S |
|---|---|
| Molecular Weight | 507.21 g/mol |
| LogP | 5.5384 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 507.20795 |
| Heavy Atoms | 36 |
| Complexity | 1171.4419 |
Chemical Identifiers
| CAS Number | 5804-65-9 |
|---|---|
| SMILES | CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC)OCC4=CC=CC=C4)C(=O)CCC2)C |
Product Overview
ChemDiv1_018052 (CAS 5804-65-9), with molecular formula C29H33NO5S and molecular weight 507.21 g/mol. IUPAC: 2-ethylsulfanylethyl 4-(4-methoxy-3-phenylmethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_018052
Property Insights of ChemDiv1_018052
The XLogP value of 5.5384 indicates that ChemDiv1_018052 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_018052. Following Lipinski's Rule of Five, ChemDiv1_018052 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_018052?
The CAS number of ChemDiv1_018052 is 5804-65-9.
What is the molecular formula of ChemDiv1_018052?
The molecular formula of ChemDiv1_018052 is C29H33NO5S.
What is the molecular weight of ChemDiv1_018052?
The molecular weight of ChemDiv1_018052 is 507.21 g/mol.
Where can I buy ChemDiv1_018052?
You can request a quote for ChemDiv1_018052 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_018052?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_018052 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.