1,3-Propanediol, 2,2-diethyl-, monocarbanilate
TL;DR: 1,3-Propanediol, 2,2-diethyl-, monocarbanilate (CAS 25451-67-6) is a chemical compound with molecular formula C14H21NO3 and molecular weight 251.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-ethyl-2-(hydroxymethyl)butyl] N-phenylcarbamate
Also Known As: 2,2-Diethyl-1,3-propanediol monocarbanilate, 1,3-Propanediol, 2,2-diethyl-, monocarbanilate, 2-ethyl-2-(hydroxymethyl)butyl phenylcarbamate, 1,3-Propanediol,2,2-diethyl-,monocarbanilate, [2-ethyl-2-(hydroxymethyl)butyl] N-phenylcarbamate
| Molecular Formula | C14H21NO3 |
|---|---|
| Molecular Weight | 251.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 251.15215 |
| Heavy Atoms | 18 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 25451-67-6 |
|---|---|
| SMILES | CCC(CC)(CO)COC(=O)NC1=CC=CC=C1 |
| InChIKey | DDIKSWFSVQZAAC-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2,2-diethyl-, monocarbanilate (CAS 25451-67-6), with molecular formula C14H21NO3 and molecular weight 251.15 g/mol. IUPAC: [2-ethyl-2-(hydroxymethyl)butyl] N-phenylcarbamate.
Chemical Property Profile of 1,3-Propanediol, 2,2-diethyl-, monocarbanilate
Property Insights of 1,3-Propanediol, 2,2-diethyl-, monocarbanilate
The XLogP value of 3.2 indicates that 1,3-Propanediol, 2,2-diethyl-, monocarbanilate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, 1,3-Propanediol, 2,2-diethyl-, monocarbanilate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediol, 2,2-diethyl-, monocarbanilate 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 1,3-Propanediol, 2,2-diethyl-, monocarbanilate?
The CAS number of 1,3-Propanediol, 2,2-diethyl-, monocarbanilate is 25451-67-6.
What is the molecular formula of 1,3-Propanediol, 2,2-diethyl-, monocarbanilate?
The molecular formula of 1,3-Propanediol, 2,2-diethyl-, monocarbanilate is C14H21NO3.
What is the molecular weight of 1,3-Propanediol, 2,2-diethyl-, monocarbanilate?
The molecular weight of 1,3-Propanediol, 2,2-diethyl-, monocarbanilate is 251.15 g/mol.
Where can I buy 1,3-Propanediol, 2,2-diethyl-, monocarbanilate?
You can request a quote for 1,3-Propanediol, 2,2-diethyl-, monocarbanilate 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, 2,2-diethyl-, monocarbanilate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2,2-diethyl-, monocarbanilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.