ChemDiv1_003461
TL;DR: ChemDiv1_003461 (CAS 306285-27-8) is a chemical compound with molecular formula C29H30N2O8S and molecular weight 566.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanylethyl 7-(4-methoxyphenyl)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_003461, 2-(ethylsulfanyl)ethyl 7-(4-methoxyphenyl)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-(ETHYLSULFANYL)ETHYL 7-(4-METHOXYPHENYL)-2-METHYL-4-(6-NITRO-2H-1,3-BENZODIOXOL-5-YL)-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXYLATE, 2-(ethylthio)ethyl 7-(4-methoxyphenyl)-2-methyl-4-(6-nitrobenzo[d][1,3]dioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-ethylsulfanylethyl 7-(4-methoxyphenyl)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C29H30N2O8S |
|---|---|
| Molecular Weight | 566.17 g/mol |
| LogP | 4.99 |
| Topological Polar Surface Area | 126.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 566.1723 |
| Heavy Atoms | 40 |
| Complexity | 1415.8575 |
Chemical Identifiers
| CAS Number | 306285-27-8 |
|---|---|
| SMILES | CCSCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)CC(C2)C5=CC=C(C=C5)OC)C |
Product Overview
ChemDiv1_003461 (CAS 306285-27-8), with molecular formula C29H30N2O8S and molecular weight 566.17 g/mol. IUPAC: 2-ethylsulfanylethyl 7-(4-methoxyphenyl)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_003461
Property Insights of ChemDiv1_003461
The XLogP value of 4.99 indicates that ChemDiv1_003461 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.23 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003461. Following Lipinski's Rule of Five, ChemDiv1_003461 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_003461?
The CAS number of ChemDiv1_003461 is 306285-27-8.
What is the molecular formula of ChemDiv1_003461?
The molecular formula of ChemDiv1_003461 is C29H30N2O8S.
What is the molecular weight of ChemDiv1_003461?
The molecular weight of ChemDiv1_003461 is 566.17 g/mol.
Where can I buy ChemDiv1_003461?
You can request a quote for ChemDiv1_003461 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003461?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003461 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.