十氢萘-4a-甲酸
TL;DR: 十氢萘-4a-甲酸 (CAS 7112-20-1) is a chemical compound with molecular formula C11H18O2 and molecular weight 182.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
十氢萘-4a-甲酸
2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-4a-carboxylic acid
Also Known As: cis-9-Carboxydecalin, decalin-9-carboxylic acid, decalin-4a-carboxylic acid, cis-Decalin-9-Carboxylic acid, decahydronaphthalene-4a-carboxylic acid
| Molecular Formula | C11H18O2 |
|---|---|
| Molecular Weight | 182.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.13068 |
| Heavy Atoms | 13 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 7112-20-1 |
|---|---|
| SMILES | C1CCC2(CCCCC2C1)C(=O)O |
| InChIKey | VAMBVWHKUJPMEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
十氢萘-4a-甲酸 (CAS 7112-20-1), with molecular formula C11H18O2 and molecular weight 182.13 g/mol. IUPAC: 2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-4a-carboxylic acid.
Chemical Property Profile of 十氢萘-4a-甲酸
Property Insights of 十氢萘-4a-甲酸
The XLogP value of 3.3 indicates that 十氢萘-4a-甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 十氢萘-4a-甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 十氢萘-4a-甲酸 has 1 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 十氢萘-4a-甲酸?
The CAS number of 十氢萘-4a-甲酸 is 7112-20-1.
What is the molecular formula of 十氢萘-4a-甲酸?
The molecular formula of 十氢萘-4a-甲酸 is C11H18O2.
What is the molecular weight of 十氢萘-4a-甲酸?
The molecular weight of 十氢萘-4a-甲酸 is 182.13 g/mol.
Where can I buy 十氢萘-4a-甲酸?
You can request a quote for 十氢萘-4a-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 十氢萘-4a-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 十氢萘-4a-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.