![2-Azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylic acid, 4-[(ethylphenylamino)carbonyl]-2-(phenylmethyl)-, dimethyl ester structure](/static/products/397/39713-19-4.png)
2-Azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylic acid, 4-[(ethylphenylamino)carbonyl]-2-(phenylmethyl)-, dimethyl ester
TL;DR: 2-Azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylic acid, 4-[(ethylphenylamino)carbonyl]-2-(phenylmethyl)-, dimethyl ester (CAS 39713-19-4) is a chemical compound with molecular formula C27H30N2O5 and molecular weight 462.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-benzyl-4-[ethyl(phenyl)carbamoyl]-2-azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylate
Also Known As: 2-Azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylic acid, 4-[(ethylphenylamino)carbonyl]-2-(phenylmethyl)-, dimethyl ester, 2-Azbicyclo[4.2.0]oct-3-ene-7,8-dicarboxylic acid, 4-[(ethylphenylamino)carbonyl]-2-(phenylmethyl)-, dimethyl ester, 4-[[ phenylamino]carbonyl]-2- -2-azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylicaciddimethylester, 4-[[(Ethyl)phenylamino]carbonyl]-2-(phenylmethyl)-2-azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylic acid dimethyl ester, 7,8-dimethyl 2-benzyl-4-[ethyl(phenyl)carbamoyl]-2-azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylate
| Molecular Formula | C27H30N2O5 |
|---|---|
| Molecular Weight | 462.22 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 76.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 462.21548 |
| Heavy Atoms | 34 |
| Complexity | 784.0 |
Chemical Identifiers
| CAS Number | 39713-19-4 |
|---|---|
| SMILES | CCN(C1=CC=CC=C1)C(=O)C2=CN(C3C(C2)C(C3C(=O)OC)C(=O)OC)CC4=CC=CC=C4 |
| InChIKey | XMWBJZDABKOKLH-UHFFFAOYSA-N |
Product Overview
2-Azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylic acid, 4-[(ethylphenylamino)carbonyl]-2-(phenylmethyl)-, dimethyl ester (CAS 39713-19-4), with molecular formula C27H30N2O5 and molecular weight 462.22 g/mol. IUPAC: dimethyl 2-benzyl-4-[ethyl(phenyl)carbamoyl]-2-azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylate.
Chemical Property Profile of 2-Azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylic acid, 4-[(ethylphenylamino)carbonyl]-2-(phenylmethyl)-, dimethyl ester
Property Insights of 2-Azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylic acid, 4-[(ethylphenylamino)carbonyl]-2-(phenylmethyl)-, dimethyl ester
The XLogP value of 3.4 indicates that 2-Azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylic acid, 4-[(ethylphenylamino)carbonyl]-2-(phenylmethyl)-, dimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylic acid, 4-[(ethylphenylamino)carbonyl]-2-(phenylmethyl)-, dimethyl ester. Following Lipinski's Rule of Five, 2-Azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylic acid, 4-[(ethylphenylamino)carbonyl]-2-(phenylmethyl)-, dimethyl ester has 0 hydrogen bond donor(s) and 6 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-Azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylic acid, 4-[(ethylphenylamino)carbonyl]-2-(phenylmethyl)-, dimethyl ester?
The CAS number of 2-Azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylic acid, 4-[(ethylphenylamino)carbonyl]-2-(phenylmethyl)-, dimethyl ester is 39713-19-4.
What is the molecular formula of 2-Azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylic acid, 4-[(ethylphenylamino)carbonyl]-2-(phenylmethyl)-, dimethyl ester?
The molecular formula of 2-Azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylic acid, 4-[(ethylphenylamino)carbonyl]-2-(phenylmethyl)-, dimethyl ester is C27H30N2O5.
What is the molecular weight of 2-Azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylic acid, 4-[(ethylphenylamino)carbonyl]-2-(phenylmethyl)-, dimethyl ester?
The molecular weight of 2-Azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylic acid, 4-[(ethylphenylamino)carbonyl]-2-(phenylmethyl)-, dimethyl ester is 462.22 g/mol.
Where can I buy 2-Azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylic acid, 4-[(ethylphenylamino)carbonyl]-2-(phenylmethyl)-, dimethyl ester?
You can request a quote for 2-Azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylic acid, 4-[(ethylphenylamino)carbonyl]-2-(phenylmethyl)-, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylic acid, 4-[(ethylphenylamino)carbonyl]-2-(phenylmethyl)-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylic acid, 4-[(ethylphenylamino)carbonyl]-2-(phenylmethyl)-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.