BAS 02169719
TL;DR: BAS 02169719 (CAS 312596-99-9) is a chemical compound with molecular formula C33H30N2O8 and molecular weight 582.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 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: BAS 02169719, 2-phenylethyl 7-(4-methoxyphenyl)-2-methyl-4-(6-nitro(2H-benzo[d]1,3-dioxolan- 5-yl))-5-oxo-1,4,6,7,8-pentahydroquinoline-3-carboxylate, 2-phenylethyl 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-PHENYLETHYL 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, phenethyl 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 | C33H30N2O8 |
|---|---|
| Molecular Weight | 582.20 g/mol |
| LogP | 5.4796 |
| Topological Polar Surface Area | 126.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 582.2002 |
| Heavy Atoms | 43 |
| Complexity | 1660.0896 |
Chemical Identifiers
| CAS Number | 312596-99-9 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC5=C(C=C4[N+](=O)[O-])OCO5)C(=O)OCCC6=CC=CC=C6 |
Product Overview
BAS 02169719 (CAS 312596-99-9), with molecular formula C33H30N2O8 and molecular weight 582.20 g/mol. IUPAC: 2-phenylethyl 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 BAS 02169719
Property Insights of BAS 02169719
The XLogP value of 5.4796 indicates that BAS 02169719 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 BAS 02169719. Following Lipinski's Rule of Five, BAS 02169719 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02169719?
The CAS number of BAS 02169719 is 312596-99-9.
What is the molecular formula of BAS 02169719?
The molecular formula of BAS 02169719 is C33H30N2O8.
What is the molecular weight of BAS 02169719?
The molecular weight of BAS 02169719 is 582.20 g/mol.
Where can I buy BAS 02169719?
You can request a quote for BAS 02169719 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02169719?
Yes, KEHONG BIO provides custom synthesis services for BAS 02169719 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.