RefChem:508335
TL;DR: RefChem:508335 (CAS 80657-64-3) is a chemical compound with molecular formula C13H20O2 and molecular weight 208.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (1S,2R,6R,7R)-tricyclo[5.2.1.02,6]decane-2-carboxylate
Also Known As: Ethyl hexahydro-4,7-methanoindane-3a-carboxylate, EC 407-520-0, J3.781.458J, ethyl (1S,2R,6R,7R)-tricyclo[5.2.1.02,6]decane-2-carboxylate, 4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, ethyl ester, (3aR,4S,7R,7aR)-rel-
| Molecular Formula | C13H20O2 |
|---|---|
| Molecular Weight | 208.15 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.14633 |
| Heavy Atoms | 15 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 80657-64-3 |
|---|---|
| SMILES | CCOC(=O)[C@@]12CCC[C@@H]1[C@@H]3CC[C@H]2C3 |
| InChIKey | MGQPKOBPXHENPO-LSCVPOLPSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:508335 (CAS 80657-64-3), with molecular formula C13H20O2 and molecular weight 208.15 g/mol. IUPAC: ethyl (1S,2R,6R,7R)-tricyclo[5.2.1.02,6]decane-2-carboxylate.
Chemical Property Profile of RefChem:508335
Property Insights of RefChem:508335
The XLogP value of 3.4 indicates that RefChem:508335 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, RefChem:508335 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:508335 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 RefChem:508335?
The CAS number of RefChem:508335 is 80657-64-3.
What is the molecular formula of RefChem:508335?
The molecular formula of RefChem:508335 is C13H20O2.
What is the molecular weight of RefChem:508335?
The molecular weight of RefChem:508335 is 208.15 g/mol.
Where can I buy RefChem:508335?
You can request a quote for RefChem:508335 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:508335?
Yes, KEHONG BIO provides custom synthesis services for RefChem:508335 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.