ChemDiv1_022401
TL;DR: ChemDiv1_022401 (CAS 345370-89-0) is a chemical compound with molecular formula C31H34ClNO4 and molecular weight 519.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
Also Known As: ChemDiv1_022401, BIM-0019176.P001, A2158/0090654, 9-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione, 9-(4-((4-chlorobenzyl)oxy)-3-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
| Molecular Formula | C31H34ClNO4 |
|---|---|
| Molecular Weight | 519.22 g/mol |
| LogP | 6.9008 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 519.21765 |
| Heavy Atoms | 37 |
| Complexity | 1281.4767 |
Chemical Identifiers
| CAS Number | 345370-89-0 |
|---|---|
| SMILES | CC1(CC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=CC(=C(C=C4)OCC5=CC=C(C=C5)Cl)OC)C(=O)C1)C |
Product Overview
ChemDiv1_022401 (CAS 345370-89-0), with molecular formula C31H34ClNO4 and molecular weight 519.22 g/mol. IUPAC: 9-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione.
Chemical Property Profile of ChemDiv1_022401
Property Insights of ChemDiv1_022401
The XLogP value of 6.9008 indicates that ChemDiv1_022401 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 ChemDiv1_022401. Following Lipinski's Rule of Five, ChemDiv1_022401 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 ChemDiv1_022401?
The CAS number of ChemDiv1_022401 is 345370-89-0.
What is the molecular formula of ChemDiv1_022401?
The molecular formula of ChemDiv1_022401 is C31H34ClNO4.
What is the molecular weight of ChemDiv1_022401?
The molecular weight of ChemDiv1_022401 is 519.22 g/mol.
Where can I buy ChemDiv1_022401?
You can request a quote for ChemDiv1_022401 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022401?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022401 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.