Benzyl octahydro-3aH-4,7-methanoindene-3a-carboxylate
TL;DR: Benzyl octahydro-3aH-4,7-methanoindene-3a-carboxylate (CAS 93107-50-7) is a chemical compound with molecular formula C18H22O2 and molecular weight 270.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl (1S,2R,6R,7R)-tricyclo[5.2.1.02,6]decane-2-carboxylate
Also Known As: Benzyl octahydro-3aH-4,7-methanoindene-3a-carboxylate, 4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, phenylmethyl ester, (3aalpha,4alpha,7alpha,7aalpha)-, Benzyl (3aR,4S,7R,7aR)-octahydro-3aH-4,7-methanoindene-3a-carboxylate, benzyl(3ar,4s,7r,7ar)-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 | C18H22O2 |
|---|---|
| Molecular Weight | 270.16 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.162 |
| Heavy Atoms | 20 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 93107-50-7 |
|---|---|
| SMILES | C1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C1)C(=O)OCC4=CC=CC=C4 |
| InChIKey | DWMBSFXHVVWFMC-KYHPRHEASA-N |
Product Overview
Benzyl octahydro-3aH-4,7-methanoindene-3a-carboxylate (CAS 93107-50-7), with molecular formula C18H22O2 and molecular weight 270.16 g/mol. IUPAC: benzyl (1S,2R,6R,7R)-tricyclo[5.2.1.02,6]decane-2-carboxylate.
Chemical Property Profile of Benzyl octahydro-3aH-4,7-methanoindene-3a-carboxylate
Property Insights of Benzyl octahydro-3aH-4,7-methanoindene-3a-carboxylate
The XLogP value of 4.6 indicates that Benzyl octahydro-3aH-4,7-methanoindene-3a-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzyl octahydro-3aH-4,7-methanoindene-3a-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl octahydro-3aH-4,7-methanoindene-3a-carboxylate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzyl octahydro-3aH-4,7-methanoindene-3a-carboxylate?
The CAS number of Benzyl octahydro-3aH-4,7-methanoindene-3a-carboxylate is 93107-50-7.
What is the molecular formula of Benzyl octahydro-3aH-4,7-methanoindene-3a-carboxylate?
The molecular formula of Benzyl octahydro-3aH-4,7-methanoindene-3a-carboxylate is C18H22O2.
What is the molecular weight of Benzyl octahydro-3aH-4,7-methanoindene-3a-carboxylate?
The molecular weight of Benzyl octahydro-3aH-4,7-methanoindene-3a-carboxylate is 270.16 g/mol.
Where can I buy Benzyl octahydro-3aH-4,7-methanoindene-3a-carboxylate?
You can request a quote for Benzyl octahydro-3aH-4,7-methanoindene-3a-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl octahydro-3aH-4,7-methanoindene-3a-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl octahydro-3aH-4,7-methanoindene-3a-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.