![2-Propenoic acid, 2-[[[[3-[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]-4-methylphenyl]amino]carbonyl]oxy]ethyl ester structure](/static/products/8473/84732-28-5.webp)
2-Propenoic acid, 2-[[[[3-[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]-4-methylphenyl]amino]carbonyl]oxy]ethyl ester
TL;DR: 2-Propenoic acid, 2-[[[[3-[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]-4-methylphenyl]amino]carbonyl]oxy]ethyl ester (CAS 84732-28-5) is a chemical compound with molecular formula C20H25N3O6 and molecular weight 403.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-methyl-3-[(2-oxoazepane-1-carbonyl)amino]phenyl]carbamoyloxy]ethyl prop-2-enoate
Also Known As: 2-Propenoic acid, 2-[[[[3-[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]-4-methylphenyl]amino]carbonyl]oxy]ethyl ester, 2-Propenoic acid, 2-((((3-(((hexahydro-2-oxo-1H-azepin-1-yl)carbonyl)amino)-4-methylphenyl)amino)carbonyl)oxy)ethyl ester, 2-[[4-methyl-3-[(2-oxoazepane-1-carbonyl)amino]phenyl]carbamoyloxy]ethyl Prop-2-enoate, 2-({[4-Methyl-3-(2-oxoazepane-1-carboxamido)phenyl]carbamoyl}oxy)ethyl prop-2-enoate, 2-[({4-methyl-3-[(2-oxoazepane-1-carbonyl)amino]phenyl}carbamoyl)oxy]ethyl prop-2-enoate
| Molecular Formula | C20H25N3O6 |
|---|---|
| Molecular Weight | 403.17 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 403.17435 |
| Heavy Atoms | 29 |
| Complexity | 623.0 |
Chemical Identifiers
| CAS Number | 84732-28-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)OCCOC(=O)C=C)NC(=O)N2CCCCCC2=O |
| InChIKey | LXIZDQCVWXIOHJ-UHFFFAOYSA-N |
Product Overview
2-Propenoic acid, 2-[[[[3-[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]-4-methylphenyl]amino]carbonyl]oxy]ethyl ester (CAS 84732-28-5), with molecular formula C20H25N3O6 and molecular weight 403.17 g/mol. IUPAC: 2-[[4-methyl-3-[(2-oxoazepane-1-carbonyl)amino]phenyl]carbamoyloxy]ethyl prop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 2-[[[[3-[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]-4-methylphenyl]amino]carbonyl]oxy]ethyl ester
Property Insights of 2-Propenoic acid, 2-[[[[3-[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]-4-methylphenyl]amino]carbonyl]oxy]ethyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 2-[[[[3-[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]-4-methylphenyl]amino]carbonyl]oxy]ethyl ester. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 2-[[[[3-[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]-4-methylphenyl]amino]carbonyl]oxy]ethyl ester. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-[[[[3-[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]-4-methylphenyl]amino]carbonyl]oxy]ethyl ester has 2 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-Propenoic acid, 2-[[[[3-[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]-4-methylphenyl]amino]carbonyl]oxy]ethyl ester?
The CAS number of 2-Propenoic acid, 2-[[[[3-[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]-4-methylphenyl]amino]carbonyl]oxy]ethyl ester is 84732-28-5.
What is the molecular formula of 2-Propenoic acid, 2-[[[[3-[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]-4-methylphenyl]amino]carbonyl]oxy]ethyl ester?
The molecular formula of 2-Propenoic acid, 2-[[[[3-[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]-4-methylphenyl]amino]carbonyl]oxy]ethyl ester is C20H25N3O6.
What is the molecular weight of 2-Propenoic acid, 2-[[[[3-[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]-4-methylphenyl]amino]carbonyl]oxy]ethyl ester?
The molecular weight of 2-Propenoic acid, 2-[[[[3-[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]-4-methylphenyl]amino]carbonyl]oxy]ethyl ester is 403.17 g/mol.
Where can I buy 2-Propenoic acid, 2-[[[[3-[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]-4-methylphenyl]amino]carbonyl]oxy]ethyl ester?
You can request a quote for 2-Propenoic acid, 2-[[[[3-[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]-4-methylphenyl]amino]carbonyl]oxy]ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 2-[[[[3-[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]-4-methylphenyl]amino]carbonyl]oxy]ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-[[[[3-[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]-4-methylphenyl]amino]carbonyl]oxy]ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.