ChemDiv1_001826
TL;DR: ChemDiv1_001826 (CAS 313244-99-4) is a chemical compound with molecular formula C30H35NO6 and molecular weight 505.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: ChemDiv1_001826, BAS 00915355, 2-phenylethyl 2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-phenylethyl 2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, F0452-3184
| Molecular Formula | C30H35NO6 |
|---|---|
| Molecular Weight | 505.25 g/mol |
| LogP | 5.1023 |
| Topological Polar Surface Area | 83.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 505.24643 |
| Heavy Atoms | 37 |
| Complexity | 1233.0828 |
Chemical Identifiers
| CAS Number | 313244-99-4 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OCCC4=CC=CC=C4 |
Product Overview
ChemDiv1_001826 (CAS 313244-99-4), with molecular formula C30H35NO6 and molecular weight 505.25 g/mol. IUPAC: 2-phenylethyl 2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_001826
Property Insights of ChemDiv1_001826
The XLogP value of 5.1023 indicates that ChemDiv1_001826 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.09 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_001826. Following Lipinski's Rule of Five, ChemDiv1_001826 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_001826?
The CAS number of ChemDiv1_001826 is 313244-99-4.
What is the molecular formula of ChemDiv1_001826?
The molecular formula of ChemDiv1_001826 is C30H35NO6.
What is the molecular weight of ChemDiv1_001826?
The molecular weight of ChemDiv1_001826 is 505.25 g/mol.
Where can I buy ChemDiv1_001826?
You can request a quote for ChemDiv1_001826 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001826?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001826 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.