Methyl octahydro-4a(2H)-naphthalenecarboxylate
TL;DR: Methyl octahydro-4a(2H)-naphthalenecarboxylate (CAS 62338-25-4) is a chemical compound with molecular formula C12H20O2 and molecular weight 196.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-4a-carboxylate
Also Known As: Methyl octahydro-4a(2H)-naphthalenecarboxylate, methyl decahydronaphthalene-4a-carboxylate, Decahydronaphthalene-4a-carboxylic acid methyl ester, Methyl octahydronaphthalene-4a(2H)-carboxylate, Decahydronaphthalene-4a-carboxylicacidmethylester
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.15 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.14633 |
| Heavy Atoms | 14 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 62338-25-4 |
|---|---|
| SMILES | COC(=O)C12CCCCC1CCCC2 |
| InChIKey | ZAMDBHONWRZVLI-UHFFFAOYSA-N |
Product Overview
Methyl octahydro-4a(2H)-naphthalenecarboxylate (CAS 62338-25-4), with molecular formula C12H20O2 and molecular weight 196.15 g/mol. IUPAC: methyl 2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-4a-carboxylate.
Chemical Property Profile of Methyl octahydro-4a(2H)-naphthalenecarboxylate
Property Insights of Methyl octahydro-4a(2H)-naphthalenecarboxylate
The XLogP value of 3.7 indicates that Methyl octahydro-4a(2H)-naphthalenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl octahydro-4a(2H)-naphthalenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl octahydro-4a(2H)-naphthalenecarboxylate 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 Methyl octahydro-4a(2H)-naphthalenecarboxylate?
The CAS number of Methyl octahydro-4a(2H)-naphthalenecarboxylate is 62338-25-4.
What is the molecular formula of Methyl octahydro-4a(2H)-naphthalenecarboxylate?
The molecular formula of Methyl octahydro-4a(2H)-naphthalenecarboxylate is C12H20O2.
What is the molecular weight of Methyl octahydro-4a(2H)-naphthalenecarboxylate?
The molecular weight of Methyl octahydro-4a(2H)-naphthalenecarboxylate is 196.15 g/mol.
Where can I buy Methyl octahydro-4a(2H)-naphthalenecarboxylate?
You can request a quote for Methyl octahydro-4a(2H)-naphthalenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl octahydro-4a(2H)-naphthalenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl octahydro-4a(2H)-naphthalenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.