ChemDiv1_018272
TL;DR: ChemDiv1_018272 (CAS 347314-68-5) is a chemical compound with molecular formula C31H35NO5 and molecular weight 501.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxolan-2-ylmethyl 2,7,7-trimethyl-5-oxo-4-(3-phenylmethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: ChemDiv1_018272, tetrahydrofuran-2-ylmethyl 4-[3-(benzyloxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, (OXOLAN-2-YL)METHYL 4-[3-(BENZYLOXY)PHENYL]-2,7,7-TRIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXYLATE, (tetrahydrofuran-2-yl)methyl 4-(3-(benzyloxy)phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, oxolan-2-ylmethyl 2,7,7-trimethyl-5-oxo-4-(3-phenylmethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate
| Molecular Formula | C31H35NO5 |
|---|---|
| Molecular Weight | 501.25 g/mol |
| LogP | 5.5918 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 501.25153 |
| Heavy Atoms | 37 |
| Complexity | 1237.2545 |
Chemical Identifiers
| CAS Number | 347314-68-5 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)OCC5CCCO5 |
Product Overview
ChemDiv1_018272 (CAS 347314-68-5), with molecular formula C31H35NO5 and molecular weight 501.25 g/mol. IUPAC: oxolan-2-ylmethyl 2,7,7-trimethyl-5-oxo-4-(3-phenylmethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_018272
Property Insights of ChemDiv1_018272
The XLogP value of 5.5918 indicates that ChemDiv1_018272 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 ChemDiv1_018272. Following Lipinski's Rule of Five, ChemDiv1_018272 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 ChemDiv1_018272?
The CAS number of ChemDiv1_018272 is 347314-68-5.
What is the molecular formula of ChemDiv1_018272?
The molecular formula of ChemDiv1_018272 is C31H35NO5.
What is the molecular weight of ChemDiv1_018272?
The molecular weight of ChemDiv1_018272 is 501.25 g/mol.
Where can I buy ChemDiv1_018272?
You can request a quote for ChemDiv1_018272 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_018272?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_018272 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.