![Methyl 3-[4-[bis[2-(acetoxy)ethyl]amino]-2-methylphenyl]-2-cyanoacrylate structure](/static/products/544/5445-91-0.png)
Methyl 3-[4-[bis[2-(acetoxy)ethyl]amino]-2-methylphenyl]-2-cyanoacrylate
TL;DR: Methyl 3-[4-[bis[2-(acetoxy)ethyl]amino]-2-methylphenyl]-2-cyanoacrylate (CAS 5445-91-0) is a chemical compound with molecular formula C20H24N2O6 and molecular weight 388.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-3-[4-[bis(2-acetyloxyethyl)amino]-2-methylphenyl]-2-cyanoprop-2-enoate
Also Known As: EINECS 258-624-6, methyl 3-(4-{bis[2-(acetyloxy)ethyl]amino}-2-methylphenyl)-2-cyanoprop-2-enoate, 2-Propenoic acid, 3-[4-[bis[2-(acetyloxy)ethyl]amino]-2-methylphenyl]-2-cyano-, methyl ester, METHYL 3-[4-[BIS[2-(ACETOXY)ETHYL]AMINO]-2-METHYLPHENYL]-2-CYANOACRYLATE, Methyl 3-[4-[bis[2-(acetyloxy)ethyl]amino]-2-methylphenyl]-2-cyano-2-propenoate
| Molecular Formula | C20H24N2O6 |
|---|---|
| Molecular Weight | 388.16 g/mol |
| LogP | 2.0076 |
| Topological Polar Surface Area | 105.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 388.16342 |
| Heavy Atoms | 28 |
| Complexity | 774.3759 |
Chemical Identifiers
| CAS Number | 5445-91-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N(CCOC(=O)C)CCOC(=O)C)/C=C(\C#N)/C(=O)OC |
Product Overview
Methyl 3-[4-[bis[2-(acetoxy)ethyl]amino]-2-methylphenyl]-2-cyanoacrylate (CAS 5445-91-0), with molecular formula C20H24N2O6 and molecular weight 388.16 g/mol. IUPAC: methyl (E)-3-[4-[bis(2-acetyloxyethyl)amino]-2-methylphenyl]-2-cyanoprop-2-enoate.
Chemical Property Profile of Methyl 3-[4-[bis[2-(acetoxy)ethyl]amino]-2-methylphenyl]-2-cyanoacrylate
Property Insights of Methyl 3-[4-[bis[2-(acetoxy)ethyl]amino]-2-methylphenyl]-2-cyanoacrylate
The XLogP value of 2.0076 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-[4-[bis[2-(acetoxy)ethyl]amino]-2-methylphenyl]-2-cyanoacrylate. The TPSA of 105.93 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-[4-[bis[2-(acetoxy)ethyl]amino]-2-methylphenyl]-2-cyanoacrylate. Following Lipinski's Rule of Five, Methyl 3-[4-[bis[2-(acetoxy)ethyl]amino]-2-methylphenyl]-2-cyanoacrylate has 0 hydrogen bond donor(s) and 8 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 3-[4-[bis[2-(acetoxy)ethyl]amino]-2-methylphenyl]-2-cyanoacrylate?
The CAS number of Methyl 3-[4-[bis[2-(acetoxy)ethyl]amino]-2-methylphenyl]-2-cyanoacrylate is 5445-91-0.
What is the molecular formula of Methyl 3-[4-[bis[2-(acetoxy)ethyl]amino]-2-methylphenyl]-2-cyanoacrylate?
The molecular formula of Methyl 3-[4-[bis[2-(acetoxy)ethyl]amino]-2-methylphenyl]-2-cyanoacrylate is C20H24N2O6.
What is the molecular weight of Methyl 3-[4-[bis[2-(acetoxy)ethyl]amino]-2-methylphenyl]-2-cyanoacrylate?
The molecular weight of Methyl 3-[4-[bis[2-(acetoxy)ethyl]amino]-2-methylphenyl]-2-cyanoacrylate is 388.16 g/mol.
Where can I buy Methyl 3-[4-[bis[2-(acetoxy)ethyl]amino]-2-methylphenyl]-2-cyanoacrylate?
You can request a quote for Methyl 3-[4-[bis[2-(acetoxy)ethyl]amino]-2-methylphenyl]-2-cyanoacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[4-[bis[2-(acetoxy)ethyl]amino]-2-methylphenyl]-2-cyanoacrylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[4-[bis[2-(acetoxy)ethyl]amino]-2-methylphenyl]-2-cyanoacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.