methyl 4-(9-phenyl-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl)benzoate
TL;DR: methyl 4-(9-phenyl-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl)benzoate (CAS 53971-55-4) is a chemical compound with molecular formula C27H29NO2 and molecular weight 399.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(9-phenyl-2,3,4,5,6,7,8,9-octahydro-1H-acridin-10-yl)benzoate
Also Known As: methyl 4-(9-phenyl-1,2,3,4,5,6,7,8-octahydroacridin-10(9H)-yl)benzoate, methyl 4-(9-phenyl-2,3,4,5,6,7,8,9-octahydro-1H-acridin-10-yl)benzoate, methyl 4-(9-phenyl-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl)benzoate
| Molecular Formula | C27H29NO2 |
|---|---|
| Molecular Weight | 399.22 g/mol |
| LogP | 6.7332 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.21982 |
| Heavy Atoms | 30 |
| Complexity | 966.9184 |
Chemical Identifiers
| CAS Number | 53971-55-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N2C3=C(CCCC3)C(C4=C2CCCC4)C5=CC=CC=C5 |
Product Overview
methyl 4-(9-phenyl-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl)benzoate (CAS 53971-55-4), with molecular formula C27H29NO2 and molecular weight 399.22 g/mol. IUPAC: methyl 4-(9-phenyl-2,3,4,5,6,7,8,9-octahydro-1H-acridin-10-yl)benzoate.
Chemical Property Profile of methyl 4-(9-phenyl-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl)benzoate
Property Insights of methyl 4-(9-phenyl-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl)benzoate
The XLogP value of 6.7332 indicates that methyl 4-(9-phenyl-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, methyl 4-(9-phenyl-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-(9-phenyl-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl)benzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 4-(9-phenyl-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl)benzoate?
The CAS number of methyl 4-(9-phenyl-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl)benzoate is 53971-55-4.
What is the molecular formula of methyl 4-(9-phenyl-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl)benzoate?
The molecular formula of methyl 4-(9-phenyl-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl)benzoate is C27H29NO2.
What is the molecular weight of methyl 4-(9-phenyl-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl)benzoate?
The molecular weight of methyl 4-(9-phenyl-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl)benzoate is 399.22 g/mol.
Where can I buy methyl 4-(9-phenyl-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl)benzoate?
You can request a quote for methyl 4-(9-phenyl-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(9-phenyl-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(9-phenyl-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.