Carbamic acid, (1-(hydroxymethyl)-2-phenylethyl)-, ethyl ester
TL;DR: Carbamic acid, (1-(hydroxymethyl)-2-phenylethyl)-, ethyl ester (CAS 21829-31-2) is a chemical compound with molecular formula C12H17NO3 and molecular weight 223.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(1-hydroxy-3-phenylpropan-2-yl)carbamate
Also Known As: Ethyl (alpha-(hydroxymethyl)phenethyl)carbamate, ethyl N-(1-hydroxy-3-phenylpropan-2-yl)carbamate, ethyl(1-hydroxy-3-phenylpropan-2-yl)carbamate, Ethyl (1-hydroxy-3-phenyl-2-propanyl)carbamate, Ethyl (1-hydroxy-3-phenylpropan-2-yl)carbamate
| Molecular Formula | C12H17NO3 |
|---|---|
| Molecular Weight | 223.12 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 223.12085 |
| Heavy Atoms | 16 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 21829-31-2 |
|---|---|
| SMILES | CCOC(=O)NC(CC1=CC=CC=C1)CO |
| InChIKey | AVSCLOPFRCQQAR-UHFFFAOYSA-N |
Product Overview
Carbamic acid, (1-(hydroxymethyl)-2-phenylethyl)-, ethyl ester (CAS 21829-31-2), with molecular formula C12H17NO3 and molecular weight 223.12 g/mol. IUPAC: ethyl N-(1-hydroxy-3-phenylpropan-2-yl)carbamate.
Chemical Property Profile of Carbamic acid, (1-(hydroxymethyl)-2-phenylethyl)-, ethyl ester
Property Insights of Carbamic acid, (1-(hydroxymethyl)-2-phenylethyl)-, ethyl ester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, (1-(hydroxymethyl)-2-phenylethyl)-, ethyl ester. With a topological polar surface area (TPSA) of 58.6 Ų, Carbamic acid, (1-(hydroxymethyl)-2-phenylethyl)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, (1-(hydroxymethyl)-2-phenylethyl)-, ethyl ester 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 Carbamic acid, (1-(hydroxymethyl)-2-phenylethyl)-, ethyl ester?
The CAS number of Carbamic acid, (1-(hydroxymethyl)-2-phenylethyl)-, ethyl ester is 21829-31-2.
What is the molecular formula of Carbamic acid, (1-(hydroxymethyl)-2-phenylethyl)-, ethyl ester?
The molecular formula of Carbamic acid, (1-(hydroxymethyl)-2-phenylethyl)-, ethyl ester is C12H17NO3.
What is the molecular weight of Carbamic acid, (1-(hydroxymethyl)-2-phenylethyl)-, ethyl ester?
The molecular weight of Carbamic acid, (1-(hydroxymethyl)-2-phenylethyl)-, ethyl ester is 223.12 g/mol.
Where can I buy Carbamic acid, (1-(hydroxymethyl)-2-phenylethyl)-, ethyl ester?
You can request a quote for Carbamic acid, (1-(hydroxymethyl)-2-phenylethyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, (1-(hydroxymethyl)-2-phenylethyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, (1-(hydroxymethyl)-2-phenylethyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.