4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, cyano(3-phenoxyphenyl)methyl ester
TL;DR: 4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, cyano(3-phenoxyphenyl)methyl ester (CAS 93107-41-6) is a chemical compound with molecular formula C25H25NO3 and molecular weight 387.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[cyano-(3-phenoxyphenyl)methyl] tricyclo[5.2.1.02,6]decane-2-carboxylate
Also Known As: 4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, cyano(3-phenoxyphenyl)methyl ester, cyano(3-phenoxyphenyl)methyl octahydro-3ah-4,7-methanoindene-3a-carboxylate, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(3-methyl-1-piperazinyl)quinoline-3-carboxylic acid
| Molecular Formula | C25H25NO3 |
|---|---|
| Molecular Weight | 387.18 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.18344 |
| Heavy Atoms | 29 |
| Complexity | 662.0 |
Chemical Identifiers
| CAS Number | 93107-41-6 |
|---|---|
| SMILES | C1CC2C3CCC(C3)C2(C1)C(=O)OC(C#N)C4=CC(=CC=C4)OC5=CC=CC=C5 |
| InChIKey | PMBRWDVUYVUKHT-UHFFFAOYSA-N |
Product Overview
4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, cyano(3-phenoxyphenyl)methyl ester (CAS 93107-41-6), with molecular formula C25H25NO3 and molecular weight 387.18 g/mol. IUPAC: [cyano-(3-phenoxyphenyl)methyl] tricyclo[5.2.1.02,6]decane-2-carboxylate.
Chemical Property Profile of 4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, cyano(3-phenoxyphenyl)methyl ester
Property Insights of 4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, cyano(3-phenoxyphenyl)methyl ester
The XLogP value of 6.1 indicates that 4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, cyano(3-phenoxyphenyl)methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.3 Ų, 4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, cyano(3-phenoxyphenyl)methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, cyano(3-phenoxyphenyl)methyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, cyano(3-phenoxyphenyl)methyl ester?
The CAS number of 4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, cyano(3-phenoxyphenyl)methyl ester is 93107-41-6.
What is the molecular formula of 4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, cyano(3-phenoxyphenyl)methyl ester?
The molecular formula of 4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, cyano(3-phenoxyphenyl)methyl ester is C25H25NO3.
What is the molecular weight of 4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, cyano(3-phenoxyphenyl)methyl ester?
The molecular weight of 4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, cyano(3-phenoxyphenyl)methyl ester is 387.18 g/mol.
Where can I buy 4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, cyano(3-phenoxyphenyl)methyl ester?
You can request a quote for 4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, cyano(3-phenoxyphenyl)methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, cyano(3-phenoxyphenyl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, cyano(3-phenoxyphenyl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.