RefChem:266343
TL;DR: RefChem:266343 (CAS 53554-75-9) 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 3-[4-[bis(2-acetyloxyethyl)amino]-2-methylphenyl]-2-cyanoprop-2-enoate
Also Known As: 2-Propenoic acid, 3-(4-(bis(2-(acetyloxy)ethyl)amino)-2-methylphenyl)-2-cyano-, methyl ester, 2-Propenoic acid, 3-[4-[bis[2-(acetyloxy)ethyl]amino]-2-methylphenyl]-2-cyano-, methyl ester, methyl3-[4-[bis[2- ethyl]amino]-2-methylphenyl]-2-cyanoacrylate, Methyl 3-(4-(bis(2-(acetoxy)ethyl)amino)-2-methylphenyl)-2-cyanoacrylate, Acrylic acid, 3-{4-[bis(2-acetoxyethyl)amino]-2-methylphenyl}-2-cyano-, methyl ester
| Molecular Formula | C20H24N2O6 |
|---|---|
| Molecular Weight | 388.16 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 388.16342 |
| Heavy Atoms | 28 |
| Complexity | 616.0 |
Chemical Identifiers
| CAS Number | 53554-75-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N(CCOC(=O)C)CCOC(=O)C)C=C(C#N)C(=O)OC |
| InChIKey | IJSRGFRRTNHCNS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:266343 (CAS 53554-75-9), with molecular formula C20H24N2O6 and molecular weight 388.16 g/mol. IUPAC: methyl 3-[4-[bis(2-acetyloxyethyl)amino]-2-methylphenyl]-2-cyanoprop-2-enoate.
Chemical Property Profile of RefChem:266343
Property Insights of RefChem:266343
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:266343. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:266343. Following Lipinski's Rule of Five, RefChem:266343 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 RefChem:266343?
The CAS number of RefChem:266343 is 53554-75-9.
What is the molecular formula of RefChem:266343?
The molecular formula of RefChem:266343 is C20H24N2O6.
What is the molecular weight of RefChem:266343?
The molecular weight of RefChem:266343 is 388.16 g/mol.
Where can I buy RefChem:266343?
You can request a quote for RefChem:266343 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:266343?
Yes, KEHONG BIO provides custom synthesis services for RefChem:266343 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.