ChemDiv3_001194
TL;DR: ChemDiv3_001194 (CAS 299453-98-8) is a chemical compound with molecular formula C27H29NO4 and molecular weight 431.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methyl-5-oxo-7-phenyl-4-(2-propan-2-yloxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv3_001194, BAS 00916019, IDI1_020160, BRD-A76634582-001-01-6, methyl 2-methyl-5-oxo-7-phenyl-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C27H29NO4 |
|---|---|
| Molecular Weight | 431.21 g/mol |
| LogP | 5.0084 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.20966 |
| Heavy Atoms | 32 |
| Complexity | 1097.6493 |
Chemical Identifiers
| CAS Number | 299453-98-8 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC=CC=C4OC(C)C)C(=O)OC |
Product Overview
ChemDiv3_001194 (CAS 299453-98-8), with molecular formula C27H29NO4 and molecular weight 431.21 g/mol. IUPAC: methyl 2-methyl-5-oxo-7-phenyl-4-(2-propan-2-yloxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv3_001194
Property Insights of ChemDiv3_001194
The XLogP value of 5.0084 indicates that ChemDiv3_001194 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_001194. Following Lipinski's Rule of Five, ChemDiv3_001194 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_001194?
The CAS number of ChemDiv3_001194 is 299453-98-8.
What is the molecular formula of ChemDiv3_001194?
The molecular formula of ChemDiv3_001194 is C27H29NO4.
What is the molecular weight of ChemDiv3_001194?
The molecular weight of ChemDiv3_001194 is 431.21 g/mol.
Where can I buy ChemDiv3_001194?
You can request a quote for ChemDiv3_001194 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_001194?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_001194 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.