Emerin
TL;DR: Emerin (CAS 40581-18-8) is a chemical compound with molecular formula C20H16N2O2 and molecular weight 316.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z,3Z)-2,3-bis[(4-methoxyphenyl)methylidene]butanedinitrile
Also Known As: emerin, Emerin (Aspergillus), Epurpurin C dimethyl ether, EMD protein, human, (2Z,3Z)-2,3-bis[(4-methoxyphenyl)methylidene]butanedinitrile
| Molecular Formula | C20H16N2O2 |
|---|---|
| Molecular Weight | 316.12 g/mol |
| LogP | 4.21796 |
| Topological Polar Surface Area | 66.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.1212 |
| Heavy Atoms | 24 |
| Complexity | 759.693 |
Chemical Identifiers
| CAS Number | 40581-18-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C(/C(=C/C2=CC=C(C=C2)OC)/C#N)\C#N |
Product Overview
Emerin (CAS 40581-18-8), with molecular formula C20H16N2O2 and molecular weight 316.12 g/mol. IUPAC: (2Z,3Z)-2,3-bis[(4-methoxyphenyl)methylidene]butanedinitrile.
Chemical Property Profile of Emerin
Property Insights of Emerin
The XLogP value of 4.21796 indicates that Emerin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.04 Ų falls within the moderate polarity range, balancing permeability and solubility for Emerin. Following Lipinski's Rule of Five, Emerin has 0 hydrogen bond donor(s) and 4 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 Emerin?
The CAS number of Emerin is 40581-18-8.
What is the molecular formula of Emerin?
The molecular formula of Emerin is C20H16N2O2.
What is the molecular weight of Emerin?
The molecular weight of Emerin is 316.12 g/mol.
Where can I buy Emerin?
You can request a quote for Emerin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Emerin?
Yes, KEHONG BIO provides custom synthesis services for Emerin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.