1,3-Propanediol, 2-butyl-2-ethyl-, carbamate carbanilate (ester)
TL;DR: 1,3-Propanediol, 2-butyl-2-ethyl-, carbamate carbanilate (ester) (CAS 3063-79-4) is a chemical compound with molecular formula C17H26N2O4 and molecular weight 322.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(carbamoyloxymethyl)-2-ethylhexyl] N-phenylcarbamate
Also Known As: 2-Butyl-2-ethyl-1,3-propanediol carbamate carbanilate (ester), 1,3-Propanediol, 2-butyl-2-ethyl-, carbamate carbanilate (ester), [2-(carbamoyloxymethyl)-2-ethylhexyl] N-phenylcarbamate, 2-[(carbamoyloxy)methyl]-2-ethylhexyl phenylcarbamate(non-preferred name), RefChem:1053019
| Molecular Formula | C17H26N2O4 |
|---|---|
| Molecular Weight | 322.19 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 322.18927 |
| Heavy Atoms | 23 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 3063-79-4 |
|---|---|
| SMILES | CCCCC(CC)(COC(=O)N)COC(=O)NC1=CC=CC=C1 |
| InChIKey | OGJSHGYBRDXAFV-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2-butyl-2-ethyl-, carbamate carbanilate (ester) (CAS 3063-79-4), with molecular formula C17H26N2O4 and molecular weight 322.19 g/mol. IUPAC: [2-(carbamoyloxymethyl)-2-ethylhexyl] N-phenylcarbamate.
Chemical Property Profile of 1,3-Propanediol, 2-butyl-2-ethyl-, carbamate carbanilate (ester)
Property Insights of 1,3-Propanediol, 2-butyl-2-ethyl-, carbamate carbanilate (ester)
The XLogP value of 3.8 indicates that 1,3-Propanediol, 2-butyl-2-ethyl-, carbamate carbanilate (ester) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-butyl-2-ethyl-, carbamate carbanilate (ester). Following Lipinski's Rule of Five, 1,3-Propanediol, 2-butyl-2-ethyl-, carbamate carbanilate (ester) 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-butyl-2-ethyl-, carbamate carbanilate (ester)?
The CAS number of 1,3-Propanediol, 2-butyl-2-ethyl-, carbamate carbanilate (ester) is 3063-79-4.
What is the molecular formula of 1,3-Propanediol, 2-butyl-2-ethyl-, carbamate carbanilate (ester)?
The molecular formula of 1,3-Propanediol, 2-butyl-2-ethyl-, carbamate carbanilate (ester) is C17H26N2O4.
What is the molecular weight of 1,3-Propanediol, 2-butyl-2-ethyl-, carbamate carbanilate (ester)?
The molecular weight of 1,3-Propanediol, 2-butyl-2-ethyl-, carbamate carbanilate (ester) is 322.19 g/mol.
Where can I buy 1,3-Propanediol, 2-butyl-2-ethyl-, carbamate carbanilate (ester)?
You can request a quote for 1,3-Propanediol, 2-butyl-2-ethyl-, carbamate carbanilate (ester) 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-butyl-2-ethyl-, carbamate carbanilate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-butyl-2-ethyl-, carbamate carbanilate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.