3-Dimethylcarbamoyl-acrylic acid 3,5-di-tert-butyl-4-hydroxy-benzyl ester
TL;DR: 3-Dimethylcarbamoyl-acrylic acid 3,5-di-tert-butyl-4-hydroxy-benzyl ester (CAS 372085-95-5) is a chemical compound with molecular formula C21H31NO4 and molecular weight 361.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-ditert-butyl-4-hydroxyphenyl)methyl (Z)-4-(dimethylamino)-4-oxobut-2-enoate
Also Known As: maleic acid dimethylamide 4-hydroxy-3,5-di-t-butylbenzyl ester, (Z)-3,5-di-tert-butyl-4-hydroxybenzyl 4-(dimethylamino)-4-oxobut-2-enoate, 3-Dimethylcarbamoyl-acrylic acid 3,5-di-tert-butyl-4-hydroxy-benzyl ester, (3,5-ditert-butyl-4-hydroxyphenyl)methyl (Z)-4-(dimethylamino)-4-oxobut-2-enoate, 3,5-di-tert-butyl-4-hydroxybenzyl (2Z)-4-(dimethylamino)-4-oxobut-2-enoate
| Molecular Formula | C21H31NO4 |
|---|---|
| Molecular Weight | 361.23 g/mol |
| LogP | 3.6748 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.2253 |
| Heavy Atoms | 26 |
| Complexity | 668.69684 |
Chemical Identifiers
| CAS Number | 372085-95-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)COC(=O)/C=C\C(=O)N(C)C |
Product Overview
3-Dimethylcarbamoyl-acrylic acid 3,5-di-tert-butyl-4-hydroxy-benzyl ester (CAS 372085-95-5), with molecular formula C21H31NO4 and molecular weight 361.23 g/mol. IUPAC: (3,5-ditert-butyl-4-hydroxyphenyl)methyl (Z)-4-(dimethylamino)-4-oxobut-2-enoate.
Chemical Property Profile of 3-Dimethylcarbamoyl-acrylic acid 3,5-di-tert-butyl-4-hydroxy-benzyl ester
Property Insights of 3-Dimethylcarbamoyl-acrylic acid 3,5-di-tert-butyl-4-hydroxy-benzyl ester
The XLogP value of 3.6748 indicates that 3-Dimethylcarbamoyl-acrylic acid 3,5-di-tert-butyl-4-hydroxy-benzyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Dimethylcarbamoyl-acrylic acid 3,5-di-tert-butyl-4-hydroxy-benzyl ester. Following Lipinski's Rule of Five, 3-Dimethylcarbamoyl-acrylic acid 3,5-di-tert-butyl-4-hydroxy-benzyl ester has 1 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 3-Dimethylcarbamoyl-acrylic acid 3,5-di-tert-butyl-4-hydroxy-benzyl ester?
The CAS number of 3-Dimethylcarbamoyl-acrylic acid 3,5-di-tert-butyl-4-hydroxy-benzyl ester is 372085-95-5.
What is the molecular formula of 3-Dimethylcarbamoyl-acrylic acid 3,5-di-tert-butyl-4-hydroxy-benzyl ester?
The molecular formula of 3-Dimethylcarbamoyl-acrylic acid 3,5-di-tert-butyl-4-hydroxy-benzyl ester is C21H31NO4.
What is the molecular weight of 3-Dimethylcarbamoyl-acrylic acid 3,5-di-tert-butyl-4-hydroxy-benzyl ester?
The molecular weight of 3-Dimethylcarbamoyl-acrylic acid 3,5-di-tert-butyl-4-hydroxy-benzyl ester is 361.23 g/mol.
Where can I buy 3-Dimethylcarbamoyl-acrylic acid 3,5-di-tert-butyl-4-hydroxy-benzyl ester?
You can request a quote for 3-Dimethylcarbamoyl-acrylic acid 3,5-di-tert-butyl-4-hydroxy-benzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Dimethylcarbamoyl-acrylic acid 3,5-di-tert-butyl-4-hydroxy-benzyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Dimethylcarbamoyl-acrylic acid 3,5-di-tert-butyl-4-hydroxy-benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.