ChemDiv1_002225
TL;DR: ChemDiv1_002225 (CAS 329073-38-3) is a chemical compound with molecular formula C31H29NO5 and molecular weight 495.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenoxyethyl 4-(4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_002225, BAS 01052125, 2-phenoxyethyl 4-(4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-phenoxyethyl 4-(4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, 2-phenoxyethyl 4-(4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,6,7,8-pentahydr oquinoline-3-carboxylate
| Molecular Formula | C31H29NO5 |
|---|---|
| Molecular Weight | 495.20 g/mol |
| LogP | 5.376 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 495.20456 |
| Heavy Atoms | 37 |
| Complexity | 1343.3654 |
Chemical Identifiers
| CAS Number | 329073-38-3 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC=C(C=C4)O)C(=O)OCCOC5=CC=CC=C5 |
Product Overview
ChemDiv1_002225 (CAS 329073-38-3), with molecular formula C31H29NO5 and molecular weight 495.20 g/mol. IUPAC: 2-phenoxyethyl 4-(4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_002225
Property Insights of ChemDiv1_002225
The XLogP value of 5.376 indicates that ChemDiv1_002225 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002225. Following Lipinski's Rule of Five, ChemDiv1_002225 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_002225?
The CAS number of ChemDiv1_002225 is 329073-38-3.
What is the molecular formula of ChemDiv1_002225?
The molecular formula of ChemDiv1_002225 is C31H29NO5.
What is the molecular weight of ChemDiv1_002225?
The molecular weight of ChemDiv1_002225 is 495.20 g/mol.
Where can I buy ChemDiv1_002225?
You can request a quote for ChemDiv1_002225 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002225?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002225 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.