ChemDiv1_002442
TL;DR: ChemDiv1_002442 (CAS 329073-11-2) is a chemical compound with molecular formula C28H29NO7 and molecular weight 491.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 4-(1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_002442, BAS 01052075, AB00094233-01, 2-methoxyethyl 4-(1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-methoxyethyl 4-(1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C28H29NO7 |
|---|---|
| Molecular Weight | 491.19 g/mol |
| LogP | 3.9751 |
| Topological Polar Surface Area | 92.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 491.1944 |
| Heavy Atoms | 36 |
| Complexity | 1245.0446 |
Chemical Identifiers
| CAS Number | 329073-11-2 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC5=C(C=C4)OCO5)C(=O)OCCOC |
Product Overview
ChemDiv1_002442 (CAS 329073-11-2), with molecular formula C28H29NO7 and molecular weight 491.19 g/mol. IUPAC: 2-methoxyethyl 4-(1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_002442
Property Insights of ChemDiv1_002442
The XLogP value of 3.9751 indicates that ChemDiv1_002442 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.32 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002442. Following Lipinski's Rule of Five, ChemDiv1_002442 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_002442?
The CAS number of ChemDiv1_002442 is 329073-11-2.
What is the molecular formula of ChemDiv1_002442?
The molecular formula of ChemDiv1_002442 is C28H29NO7.
What is the molecular weight of ChemDiv1_002442?
The molecular weight of ChemDiv1_002442 is 491.19 g/mol.
Where can I buy ChemDiv1_002442?
You can request a quote for ChemDiv1_002442 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002442?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002442 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.