1,3-Propanediol, 2-ethyl-2-phenoxy-, monocarbamate
TL;DR: 1,3-Propanediol, 2-ethyl-2-phenoxy-, monocarbamate (CAS 3059-71-0) is a chemical compound with molecular formula C12H17NO4 and molecular weight 239.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(hydroxymethyl)-2-phenoxybutyl] carbamate
Also Known As: 2-Ethyl-2-phenoxy-1,3-propanediol monocarbamate, 1,3-Propanediol, 2-ethyl-2-phenoxy-, monocarbamate, 2-(hydroxymethyl)-2-phenoxybutyl carbamate, [2-(hydroxymethyl)-2-phenoxybutyl] carbamate, 2-(Hydroxymethyl)-2-phenoxybutyl hydrogen carbonimidate
| Molecular Formula | C12H17NO4 |
|---|---|
| Molecular Weight | 239.12 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 239.11575 |
| Heavy Atoms | 17 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 3059-71-0 |
|---|---|
| SMILES | CCC(CO)(COC(=O)N)OC1=CC=CC=C1 |
| InChIKey | BPRAYQRJTVYEDH-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2-ethyl-2-phenoxy-, monocarbamate (CAS 3059-71-0), with molecular formula C12H17NO4 and molecular weight 239.12 g/mol. IUPAC: [2-(hydroxymethyl)-2-phenoxybutyl] carbamate.
Chemical Property Profile of 1,3-Propanediol, 2-ethyl-2-phenoxy-, monocarbamate
Property Insights of 1,3-Propanediol, 2-ethyl-2-phenoxy-, monocarbamate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-ethyl-2-phenoxy-, monocarbamate. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-ethyl-2-phenoxy-, monocarbamate. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-ethyl-2-phenoxy-, monocarbamate has 2 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 1,3-Propanediol, 2-ethyl-2-phenoxy-, monocarbamate?
The CAS number of 1,3-Propanediol, 2-ethyl-2-phenoxy-, monocarbamate is 3059-71-0.
What is the molecular formula of 1,3-Propanediol, 2-ethyl-2-phenoxy-, monocarbamate?
The molecular formula of 1,3-Propanediol, 2-ethyl-2-phenoxy-, monocarbamate is C12H17NO4.
What is the molecular weight of 1,3-Propanediol, 2-ethyl-2-phenoxy-, monocarbamate?
The molecular weight of 1,3-Propanediol, 2-ethyl-2-phenoxy-, monocarbamate is 239.12 g/mol.
Where can I buy 1,3-Propanediol, 2-ethyl-2-phenoxy-, monocarbamate?
You can request a quote for 1,3-Propanediol, 2-ethyl-2-phenoxy-, monocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Propanediol, 2-ethyl-2-phenoxy-, monocarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-ethyl-2-phenoxy-, monocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.