萘己酸
TL;DR: 萘己酸 (CAS 1085-91-2) is a chemical compound with molecular formula C16H18O2 and molecular weight 242.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
萘己酸
2-ethyl-2-naphthalen-1-ylbutanoic acid
Also Known As: Nafcaproic acid, Nafcapronsaeure, Acido nafcaproico, Acide nafcaproique, allopurinol
| Molecular Formula | C16H18O2 |
|---|---|
| Molecular Weight | 242.13 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.13068 |
| Heavy Atoms | 18 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 1085-91-2 |
|---|---|
| SMILES | CCC(CC)(C1=CC=CC2=CC=CC=C21)C(=O)O |
| InChIKey | NONNPKGLUCHFEW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
萘己酸 (CAS 1085-91-2), with molecular formula C16H18O2 and molecular weight 242.13 g/mol. IUPAC: 2-ethyl-2-naphthalen-1-ylbutanoic acid.
Chemical Property Profile of 萘己酸
Property Insights of 萘己酸
The XLogP value of 4.3 indicates that 萘己酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 萘己酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 萘己酸 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 萘己酸?
The CAS number of 萘己酸 is 1085-91-2.
What is the molecular formula of 萘己酸?
The molecular formula of 萘己酸 is C16H18O2.
What is the molecular weight of 萘己酸?
The molecular weight of 萘己酸 is 242.13 g/mol.
Where can I buy 萘己酸?
You can request a quote for 萘己酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 萘己酸?
Yes, KEHONG BIO provides custom synthesis services for 萘己酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.