2-Methylpropyl naphthalene-1-carboxylate
TL;DR: 2-Methylpropyl naphthalene-1-carboxylate (CAS 37440-27-0) is a chemical compound with molecular formula C15H16O2 and molecular weight 228.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl naphthalene-1-carboxylate
Also Known As: 2-methylpropyl naphthalene-1-carboxylate, 2-Chlor-N-isobutyl-acetamid, RefChem:263966
| Molecular Formula | C15H16O2 |
|---|---|
| Molecular Weight | 228.12 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.11504 |
| Heavy Atoms | 17 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 37440-27-0 |
|---|---|
| SMILES | CC(C)COC(=O)C1=CC=CC2=CC=CC=C21 |
| InChIKey | ZMNJWSHRBLQOSM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methylpropyl naphthalene-1-carboxylate (CAS 37440-27-0), with molecular formula C15H16O2 and molecular weight 228.12 g/mol. IUPAC: 2-methylpropyl naphthalene-1-carboxylate.
Chemical Property Profile of 2-Methylpropyl naphthalene-1-carboxylate
Property Insights of 2-Methylpropyl naphthalene-1-carboxylate
The XLogP value of 4.8 indicates that 2-Methylpropyl naphthalene-1-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, 2-Methylpropyl naphthalene-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylpropyl naphthalene-1-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 2-Methylpropyl naphthalene-1-carboxylate?
The CAS number of 2-Methylpropyl naphthalene-1-carboxylate is 37440-27-0.
What is the molecular formula of 2-Methylpropyl naphthalene-1-carboxylate?
The molecular formula of 2-Methylpropyl naphthalene-1-carboxylate is C15H16O2.
What is the molecular weight of 2-Methylpropyl naphthalene-1-carboxylate?
The molecular weight of 2-Methylpropyl naphthalene-1-carboxylate is 228.12 g/mol.
Where can I buy 2-Methylpropyl naphthalene-1-carboxylate?
You can request a quote for 2-Methylpropyl naphthalene-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylpropyl naphthalene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylpropyl naphthalene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.