EINECS 250-076-6
TL;DR: EINECS 250-076-6 (CAS 30165-79-8) is a chemical compound with molecular formula C23H23N3O2 and molecular weight 373.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(2,2-dicyanoethenyl)-3-methyl-N-(2-phenylethyl)anilino]propanoate
Also Known As: Methyl N-(4-(2,2-dicyanovinyl)-m-tolyl)-N-phenethyl-beta-alaninate, methyl n-[4-(2,2-dicyanoethenyl)-3-methylphenyl]-n-(2-phenylethyl)alaninate, methyl 2-[4-(2,2-dicyanoethenyl)-3-methyl-N-phenethylanilino]propanoate, beta-Alanine, N-(4-(2,2-dicyanoethenyl)-3-methylphenyl)-N-(2-phenylethyl)-, methyl ester, EINECS 250-076-6
| Molecular Formula | C23H23N3O2 |
|---|---|
| Molecular Weight | 373.18 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 373.17902 |
| Heavy Atoms | 28 |
| Complexity | 629.0 |
Chemical Identifiers
| CAS Number | 30165-79-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N(CCC2=CC=CC=C2)C(C)C(=O)OC)C=C(C#N)C#N |
| InChIKey | LCHBKFLJLODLDS-UHFFFAOYSA-N |
Product Overview
EINECS 250-076-6 (CAS 30165-79-8), with molecular formula C23H23N3O2 and molecular weight 373.18 g/mol. IUPAC: methyl 2-[4-(2,2-dicyanoethenyl)-3-methyl-N-(2-phenylethyl)anilino]propanoate.
Chemical Property Profile of EINECS 250-076-6
Property Insights of EINECS 250-076-6
The XLogP value of 4.8 indicates that EINECS 250-076-6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 250-076-6. Following Lipinski's Rule of Five, EINECS 250-076-6 has 0 hydrogen bond donor(s) and 5 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 EINECS 250-076-6?
The CAS number of EINECS 250-076-6 is 30165-79-8.
What is the molecular formula of EINECS 250-076-6?
The molecular formula of EINECS 250-076-6 is C23H23N3O2.
What is the molecular weight of EINECS 250-076-6?
The molecular weight of EINECS 250-076-6 is 373.18 g/mol.
Where can I buy EINECS 250-076-6?
You can request a quote for EINECS 250-076-6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 250-076-6?
Yes, KEHONG BIO provides custom synthesis services for EINECS 250-076-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.