1'-Acetoxy-1-allyl-4-methoxynaphthalene
TL;DR: 1'-Acetoxy-1-allyl-4-methoxynaphthalene (CAS 61691-83-6) is a chemical compound with molecular formula C16H16O3 and molecular weight 256.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxynaphthalen-1-yl)prop-2-enyl acetate
Also Known As: 1'-Acetoxy-1-allyl-4-methoxynaphthalene, alpha-Ethenyl-4-methoxy-1-naphthalenemethanol acetate, 4-Methoxy-alpha-vinyl-1-naphthalenemethanol acetate, 1-(4-methoxynaphthalen-1-yl)prop-2-enyl acetate, 1-NAPHTHALENEMETHANOL, 4-METHOXY-alpha-VINYL-, ACETATE
| Molecular Formula | C16H16O3 |
|---|---|
| Molecular Weight | 256.11 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.10995 |
| Heavy Atoms | 19 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 61691-83-6 |
|---|---|
| SMILES | CC(=O)OC(C=C)C1=CC=C(C2=CC=CC=C21)OC |
| InChIKey | KVDKMCOTAUKHLC-UHFFFAOYSA-N |
Product Overview
1'-Acetoxy-1-allyl-4-methoxynaphthalene (CAS 61691-83-6), with molecular formula C16H16O3 and molecular weight 256.11 g/mol. IUPAC: 1-(4-methoxynaphthalen-1-yl)prop-2-enyl acetate.
Chemical Property Profile of 1'-Acetoxy-1-allyl-4-methoxynaphthalene
Property Insights of 1'-Acetoxy-1-allyl-4-methoxynaphthalene
The XLogP value of 3.7 indicates that 1'-Acetoxy-1-allyl-4-methoxynaphthalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 1'-Acetoxy-1-allyl-4-methoxynaphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1'-Acetoxy-1-allyl-4-methoxynaphthalene has 0 hydrogen bond donor(s) and 3 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 1'-Acetoxy-1-allyl-4-methoxynaphthalene?
The CAS number of 1'-Acetoxy-1-allyl-4-methoxynaphthalene is 61691-83-6.
What is the molecular formula of 1'-Acetoxy-1-allyl-4-methoxynaphthalene?
The molecular formula of 1'-Acetoxy-1-allyl-4-methoxynaphthalene is C16H16O3.
What is the molecular weight of 1'-Acetoxy-1-allyl-4-methoxynaphthalene?
The molecular weight of 1'-Acetoxy-1-allyl-4-methoxynaphthalene is 256.11 g/mol.
Where can I buy 1'-Acetoxy-1-allyl-4-methoxynaphthalene?
You can request a quote for 1'-Acetoxy-1-allyl-4-methoxynaphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1'-Acetoxy-1-allyl-4-methoxynaphthalene?
Yes, KEHONG BIO provides custom synthesis services for 1'-Acetoxy-1-allyl-4-methoxynaphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.