3-(1-Aminoethylidene)-1,4-cyclopentadiene-1-carboxylic acid methyl ester
TL;DR: 3-(1-Aminoethylidene)-1,4-cyclopentadiene-1-carboxylic acid methyl ester (CAS 14469-78-4) is a chemical compound with molecular formula C9H11NO2 and molecular weight 165.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(1-aminoethylidene)cyclopenta-1,4-diene-1-carboxylate
Also Known As: methyl 3-(1-aminoethylidene)cyclopenta-1,4-diene-1-carboxylate, 3-(1-Aminoethylidene)-1,4-cyclopentadiene-1-carboxylic acid methyl ester, 1,4-Cyclopentadiene-1-carboxylic acid, 3-(1-aminoethylidene)-, methyl ester
| Molecular Formula | C9H11NO2 |
|---|---|
| Molecular Weight | 165.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 165.07898 |
| Heavy Atoms | 12 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 14469-78-4 |
|---|---|
| SMILES | CC(=C1C=CC(=C1)C(=O)OC)N |
| InChIKey | HWZJOIHOXNOXAY-UHFFFAOYSA-N |
Product Overview
3-(1-Aminoethylidene)-1,4-cyclopentadiene-1-carboxylic acid methyl ester (CAS 14469-78-4), with molecular formula C9H11NO2 and molecular weight 165.08 g/mol. IUPAC: methyl 3-(1-aminoethylidene)cyclopenta-1,4-diene-1-carboxylate.
Chemical Property Profile of 3-(1-Aminoethylidene)-1,4-cyclopentadiene-1-carboxylic acid methyl ester
Property Insights of 3-(1-Aminoethylidene)-1,4-cyclopentadiene-1-carboxylic acid methyl ester
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Aminoethylidene)-1,4-cyclopentadiene-1-carboxylic acid methyl ester. With a topological polar surface area (TPSA) of 52.3 Ų, 3-(1-Aminoethylidene)-1,4-cyclopentadiene-1-carboxylic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Aminoethylidene)-1,4-cyclopentadiene-1-carboxylic acid methyl ester has 1 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 3-(1-Aminoethylidene)-1,4-cyclopentadiene-1-carboxylic acid methyl ester?
The CAS number of 3-(1-Aminoethylidene)-1,4-cyclopentadiene-1-carboxylic acid methyl ester is 14469-78-4.
What is the molecular formula of 3-(1-Aminoethylidene)-1,4-cyclopentadiene-1-carboxylic acid methyl ester?
The molecular formula of 3-(1-Aminoethylidene)-1,4-cyclopentadiene-1-carboxylic acid methyl ester is C9H11NO2.
What is the molecular weight of 3-(1-Aminoethylidene)-1,4-cyclopentadiene-1-carboxylic acid methyl ester?
The molecular weight of 3-(1-Aminoethylidene)-1,4-cyclopentadiene-1-carboxylic acid methyl ester is 165.08 g/mol.
Where can I buy 3-(1-Aminoethylidene)-1,4-cyclopentadiene-1-carboxylic acid methyl ester?
You can request a quote for 3-(1-Aminoethylidene)-1,4-cyclopentadiene-1-carboxylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Aminoethylidene)-1,4-cyclopentadiene-1-carboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Aminoethylidene)-1,4-cyclopentadiene-1-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.