DivK1c_005981
TL;DR: DivK1c_005981 (CAS 397875-26-2) is a chemical compound with molecular formula C25H23ClN2O6 and molecular weight 482.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[4-[(4-chlorophenyl)methoxy]-3-nitrophenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: DivK1c_005981, CDS1_004941, BIM-0036550.P001, methyl 4-{4-[(4-chlorobenzyl)oxy]-3-nitrophenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, methyl 4-[4-[(4-chlorophenyl)methoxy]-3-nitrophenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C25H23ClN2O6 |
|---|---|
| Molecular Weight | 482.12 g/mol |
| LogP | 4.9681 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 482.12445 |
| Heavy Atoms | 34 |
| Complexity | 1232.467 |
Chemical Identifiers
| CAS Number | 397875-26-2 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)OCC4=CC=C(C=C4)Cl)[N+](=O)[O-])C(=O)OC |
Product Overview
DivK1c_005981 (CAS 397875-26-2), with molecular formula C25H23ClN2O6 and molecular weight 482.12 g/mol. IUPAC: methyl 4-[4-[(4-chlorophenyl)methoxy]-3-nitrophenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of DivK1c_005981
Property Insights of DivK1c_005981
The XLogP value of 4.9681 indicates that DivK1c_005981 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for DivK1c_005981. Following Lipinski's Rule of Five, DivK1c_005981 has 1 hydrogen bond donor(s) and 7 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 DivK1c_005981?
The CAS number of DivK1c_005981 is 397875-26-2.
What is the molecular formula of DivK1c_005981?
The molecular formula of DivK1c_005981 is C25H23ClN2O6.
What is the molecular weight of DivK1c_005981?
The molecular weight of DivK1c_005981 is 482.12 g/mol.
Where can I buy DivK1c_005981?
You can request a quote for DivK1c_005981 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DivK1c_005981?
Yes, KEHONG BIO provides custom synthesis services for DivK1c_005981 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.