DivK1c_005921
TL;DR: DivK1c_005921 (CAS 347351-13-7) is a chemical compound with molecular formula C25H23ClN2O5 and molecular weight 466.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 4-(2-chloro-5-nitrophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: DivK1c_005921, CDS1_004881, BIM-0036644.P001, 2-phenylethyl 4-(2-chloro-5-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-phenylethyl 4-(2-chloro-5-nitrophenyl)-2-methyl-5-oxo-1,4,6,7,8-pentahydroqu inoline-3-carboxylate
| Molecular Formula | C25H23ClN2O5 |
|---|---|
| Molecular Weight | 466.13 g/mol |
| LogP | 5.002 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 466.12955 |
| Heavy Atoms | 33 |
| Complexity | 1186.5383 |
Chemical Identifiers
| CAS Number | 347351-13-7 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C(=O)OCCC4=CC=CC=C4 |
Product Overview
DivK1c_005921 (CAS 347351-13-7), with molecular formula C25H23ClN2O5 and molecular weight 466.13 g/mol. IUPAC: 2-phenylethyl 4-(2-chloro-5-nitrophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of DivK1c_005921
Property Insights of DivK1c_005921
The XLogP value of 5.002 indicates that DivK1c_005921 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for DivK1c_005921. Following Lipinski's Rule of Five, DivK1c_005921 has 1 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 DivK1c_005921?
The CAS number of DivK1c_005921 is 347351-13-7.
What is the molecular formula of DivK1c_005921?
The molecular formula of DivK1c_005921 is C25H23ClN2O5.
What is the molecular weight of DivK1c_005921?
The molecular weight of DivK1c_005921 is 466.13 g/mol.
Where can I buy DivK1c_005921?
You can request a quote for DivK1c_005921 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DivK1c_005921?
Yes, KEHONG BIO provides custom synthesis services for DivK1c_005921 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.