BAS 02102251
TL;DR: BAS 02102251 (CAS 503591-58-0) is a chemical compound with molecular formula C28H29ClN2O7 and molecular weight 540.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-(4-chloro-3-nitrophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 02102251, Isopropyl 4-(4-chloro-3-nitrophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 4-(4-Chloro-3-nitro-phenyl)-7-(3,4-dimethoxy-phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid isopropyl ester, Isopropyl4-(4-chloro-3-nitrophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, propan-2-yl 4-(4-chloro-3-nitrophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C28H29ClN2O7 |
|---|---|
| Molecular Weight | 540.17 g/mol |
| LogP | 5.5786 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 540.1663 |
| Heavy Atoms | 38 |
| Complexity | 1379.2522 |
Chemical Identifiers
| CAS Number | 503591-58-0 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC(=C(C=C3)OC)OC)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C(=O)OC(C)C |
Product Overview
BAS 02102251 (CAS 503591-58-0), with molecular formula C28H29ClN2O7 and molecular weight 540.17 g/mol. IUPAC: propan-2-yl 4-(4-chloro-3-nitrophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 02102251
Property Insights of BAS 02102251
The XLogP value of 5.5786 indicates that BAS 02102251 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02102251. Following Lipinski's Rule of Five, BAS 02102251 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02102251?
The CAS number of BAS 02102251 is 503591-58-0.
What is the molecular formula of BAS 02102251?
The molecular formula of BAS 02102251 is C28H29ClN2O7.
What is the molecular weight of BAS 02102251?
The molecular weight of BAS 02102251 is 540.17 g/mol.
Where can I buy BAS 02102251?
You can request a quote for BAS 02102251 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02102251?
Yes, KEHONG BIO provides custom synthesis services for BAS 02102251 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.