Phenyl N-((1S)-1-(hydroxymethyl)-2-methylpropyl)carbamate
TL;DR: Phenyl N-((1S)-1-(hydroxymethyl)-2-methylpropyl)carbamate (CAS 126147-71-5) 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.
phenyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate
Also Known As: (2S)-3-Methyl-2-phenoxycarbonylamino-1-butanol, phenyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate, Phenyl [(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate, Phenyl N-[(1S)-1-(hydroxymethyl)-2-methylpropyl]carbamate, Phenyl N-((1S)-1-(hydroxymethyl)-2-methylpropyl)carbamate
| Molecular Formula | C12H17NO3 |
|---|---|
| Molecular Weight | 223.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.12085 |
| Heavy Atoms | 16 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 126147-71-5 |
|---|---|
| SMILES | CC(C)[C@@H](CO)NC(=O)OC1=CC=CC=C1 |
| InChIKey | CZHJJNISERSIIQ-LLVKDONJSA-N |
Product Overview
Phenyl N-((1S)-1-(hydroxymethyl)-2-methylpropyl)carbamate (CAS 126147-71-5), with molecular formula C12H17NO3 and molecular weight 223.12 g/mol. IUPAC: phenyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate.
Chemical Property Profile of Phenyl N-((1S)-1-(hydroxymethyl)-2-methylpropyl)carbamate
Property Insights of Phenyl N-((1S)-1-(hydroxymethyl)-2-methylpropyl)carbamate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl N-((1S)-1-(hydroxymethyl)-2-methylpropyl)carbamate. With a topological polar surface area (TPSA) of 58.6 Ų, Phenyl N-((1S)-1-(hydroxymethyl)-2-methylpropyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl N-((1S)-1-(hydroxymethyl)-2-methylpropyl)carbamate 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 Phenyl N-((1S)-1-(hydroxymethyl)-2-methylpropyl)carbamate?
The CAS number of Phenyl N-((1S)-1-(hydroxymethyl)-2-methylpropyl)carbamate is 126147-71-5.
What is the molecular formula of Phenyl N-((1S)-1-(hydroxymethyl)-2-methylpropyl)carbamate?
The molecular formula of Phenyl N-((1S)-1-(hydroxymethyl)-2-methylpropyl)carbamate is C12H17NO3.
What is the molecular weight of Phenyl N-((1S)-1-(hydroxymethyl)-2-methylpropyl)carbamate?
The molecular weight of Phenyl N-((1S)-1-(hydroxymethyl)-2-methylpropyl)carbamate is 223.12 g/mol.
Where can I buy Phenyl N-((1S)-1-(hydroxymethyl)-2-methylpropyl)carbamate?
You can request a quote for Phenyl N-((1S)-1-(hydroxymethyl)-2-methylpropyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl N-((1S)-1-(hydroxymethyl)-2-methylpropyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl N-((1S)-1-(hydroxymethyl)-2-methylpropyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.