Methyl 1,2-dihydroacenaphthylene-5-carboxylate
TL;DR: Methyl 1,2-dihydroacenaphthylene-5-carboxylate (CAS 92253-98-0) is a chemical compound with molecular formula C14H12O2 and molecular weight 212.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1,2-dihydroacenaphthylene-5-carboxylate
Also Known As: methyl 1,2-dihydroacenaphthylene-5-carboxylate, methyl 5-acenaphthoate, TimTec1_002963, methyl acenaphthene-5-carboxylate, Acenaphthen-5-carbonsaeure-methylester
| Molecular Formula | C14H12O2 |
|---|---|
| Molecular Weight | 212.08 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.08372 |
| Heavy Atoms | 16 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 92253-98-0 |
|---|---|
| SMILES | COC(=O)C1=CC=C2CCC3=C2C1=CC=C3 |
| InChIKey | SKSBXJMIJGEWBR-UHFFFAOYSA-N |
Product Overview
Methyl 1,2-dihydroacenaphthylene-5-carboxylate (CAS 92253-98-0), with molecular formula C14H12O2 and molecular weight 212.08 g/mol. IUPAC: methyl 1,2-dihydroacenaphthylene-5-carboxylate.
Chemical Property Profile of Methyl 1,2-dihydroacenaphthylene-5-carboxylate
Property Insights of Methyl 1,2-dihydroacenaphthylene-5-carboxylate
The XLogP value of 3.9 indicates that Methyl 1,2-dihydroacenaphthylene-5-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, Methyl 1,2-dihydroacenaphthylene-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1,2-dihydroacenaphthylene-5-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 Methyl 1,2-dihydroacenaphthylene-5-carboxylate?
The CAS number of Methyl 1,2-dihydroacenaphthylene-5-carboxylate is 92253-98-0.
What is the molecular formula of Methyl 1,2-dihydroacenaphthylene-5-carboxylate?
The molecular formula of Methyl 1,2-dihydroacenaphthylene-5-carboxylate is C14H12O2.
What is the molecular weight of Methyl 1,2-dihydroacenaphthylene-5-carboxylate?
The molecular weight of Methyl 1,2-dihydroacenaphthylene-5-carboxylate is 212.08 g/mol.
Where can I buy Methyl 1,2-dihydroacenaphthylene-5-carboxylate?
You can request a quote for Methyl 1,2-dihydroacenaphthylene-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1,2-dihydroacenaphthylene-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1,2-dihydroacenaphthylene-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.