DivK1c_005941
TL;DR: DivK1c_005941 (CAS 398136-09-9) is a chemical compound with molecular formula C30H35NO5 and molecular weight 489.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: DivK1c_005941, CDS1_004901, BIM-0036549.P001, ethyl 4-{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, ethyl 4-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
| Molecular Formula | C30H35NO5 |
|---|---|
| Molecular Weight | 489.25 g/mol |
| LogP | 5.74972 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 489.25153 |
| Heavy Atoms | 36 |
| Complexity | 1236.4856 |
Chemical Identifiers
| CAS Number | 398136-09-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OCC4=CC=C(C=C4)C)OC)C(=O)CC(C2)(C)C)C |
Product Overview
DivK1c_005941 (CAS 398136-09-9), with molecular formula C30H35NO5 and molecular weight 489.25 g/mol. IUPAC: ethyl 4-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of DivK1c_005941
Property Insights of DivK1c_005941
The XLogP value of 5.74972 indicates that DivK1c_005941 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for DivK1c_005941. Following Lipinski's Rule of Five, DivK1c_005941 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_005941?
The CAS number of DivK1c_005941 is 398136-09-9.
What is the molecular formula of DivK1c_005941?
The molecular formula of DivK1c_005941 is C30H35NO5.
What is the molecular weight of DivK1c_005941?
The molecular weight of DivK1c_005941 is 489.25 g/mol.
Where can I buy DivK1c_005941?
You can request a quote for DivK1c_005941 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DivK1c_005941?
Yes, KEHONG BIO provides custom synthesis services for DivK1c_005941 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.