3'-羟基-3-甲基巴豆酰苯胺甲基氨基甲酸酯
TL;DR: 3'-羟基-3-甲基巴豆酰苯胺甲基氨基甲酸酯 (CAS 17798-18-4) is a chemical compound with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3'-羟基-3-甲基巴豆酰苯胺甲基氨基甲酸酯
[3-(3-methylbut-2-enoylamino)phenyl] N-methylcarbamate
Also Known As: Crotonamide, methylcarbamate, m-(3-Methylcrotonamido)phenyl methylcarbamate, CROTONAMIDE, N-(m-HYDROXYPHENYL)-3-METHYL-, METHYLCARBAMATE, 3'-Hydroxy-3-methylcrotonanilide methylcarbamate, N-(m-Hydroxyphenyl)-3-methylcrotonamide methylcarbamate
| Molecular Formula | C13H16N2O3 |
|---|---|
| Molecular Weight | 248.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.11609 |
| Heavy Atoms | 18 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 17798-18-4 |
|---|---|
| SMILES | CC(=CC(=O)NC1=CC(=CC=C1)OC(=O)NC)C |
| InChIKey | PCAIVGZUKPFHEE-UHFFFAOYSA-N |
Product Overview
3'-羟基-3-甲基巴豆酰苯胺甲基氨基甲酸酯 (CAS 17798-18-4), with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol. IUPAC: [3-(3-methylbut-2-enoylamino)phenyl] N-methylcarbamate.
Chemical Property Profile of 3'-羟基-3-甲基巴豆酰苯胺甲基氨基甲酸酯
Property Insights of 3'-羟基-3-甲基巴豆酰苯胺甲基氨基甲酸酯
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-羟基-3-甲基巴豆酰苯胺甲基氨基甲酸酯. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-羟基-3-甲基巴豆酰苯胺甲基氨基甲酸酯. Following Lipinski's Rule of Five, 3'-羟基-3-甲基巴豆酰苯胺甲基氨基甲酸酯 has 2 hydrogen bond donor(s) and 3 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'-羟基-3-甲基巴豆酰苯胺甲基氨基甲酸酯?
The CAS number of 3'-羟基-3-甲基巴豆酰苯胺甲基氨基甲酸酯 is 17798-18-4.
What is the molecular formula of 3'-羟基-3-甲基巴豆酰苯胺甲基氨基甲酸酯?
The molecular formula of 3'-羟基-3-甲基巴豆酰苯胺甲基氨基甲酸酯 is C13H16N2O3.
What is the molecular weight of 3'-羟基-3-甲基巴豆酰苯胺甲基氨基甲酸酯?
The molecular weight of 3'-羟基-3-甲基巴豆酰苯胺甲基氨基甲酸酯 is 248.12 g/mol.
Where can I buy 3'-羟基-3-甲基巴豆酰苯胺甲基氨基甲酸酯?
You can request a quote for 3'-羟基-3-甲基巴豆酰苯胺甲基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-羟基-3-甲基巴豆酰苯胺甲基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 3'-羟基-3-甲基巴豆酰苯胺甲基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.