1,3-Propanediol, 2-methyl-2-propyl-, bis(p-ethoxycarbanilate)
TL;DR: 1,3-Propanediol, 2-methyl-2-propyl-, bis(p-ethoxycarbanilate) (CAS 25648-74-2) is a chemical compound with molecular formula C25H34N2O6 and molecular weight 458.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(4-ethoxyphenyl)carbamoyloxymethyl]-2-methylpentyl] N-(4-ethoxyphenyl)carbamate
Also Known As: 1,3-Propanediol, 2-methyl-2-propyl-, bis(p-ethoxycarbanilate), 4-13-00-01153 (Beilstein Handbook Reference), 2-Methyl-2-propyl-1,3-propanediol bis(p-ethoxycarbanilate), Bis(p-ethoxycarbanilic acid)2-methyl-2-propyltrimethylene ester, [2-[(4-ethoxyphenyl)carbamoyloxymethyl]-2-methylpentyl] N-(4-ethoxyphenyl)carbamate
| Molecular Formula | C25H34N2O6 |
|---|---|
| Molecular Weight | 458.24 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 95.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 458.2417 |
| Heavy Atoms | 33 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 25648-74-2 |
|---|---|
| SMILES | CCCC(C)(COC(=O)NC1=CC=C(C=C1)OCC)COC(=O)NC2=CC=C(C=C2)OCC |
| InChIKey | CCXTXXIACARUTI-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2-methyl-2-propyl-, bis(p-ethoxycarbanilate) (CAS 25648-74-2), with molecular formula C25H34N2O6 and molecular weight 458.24 g/mol. IUPAC: [2-[(4-ethoxyphenyl)carbamoyloxymethyl]-2-methylpentyl] N-(4-ethoxyphenyl)carbamate.
Chemical Property Profile of 1,3-Propanediol, 2-methyl-2-propyl-, bis(p-ethoxycarbanilate)
Property Insights of 1,3-Propanediol, 2-methyl-2-propyl-, bis(p-ethoxycarbanilate)
The XLogP value of 5.5 indicates that 1,3-Propanediol, 2-methyl-2-propyl-, bis(p-ethoxycarbanilate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-methyl-2-propyl-, bis(p-ethoxycarbanilate). Following Lipinski's Rule of Five, 1,3-Propanediol, 2-methyl-2-propyl-, bis(p-ethoxycarbanilate) has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Propanediol, 2-methyl-2-propyl-, bis(p-ethoxycarbanilate)?
The CAS number of 1,3-Propanediol, 2-methyl-2-propyl-, bis(p-ethoxycarbanilate) is 25648-74-2.
What is the molecular formula of 1,3-Propanediol, 2-methyl-2-propyl-, bis(p-ethoxycarbanilate)?
The molecular formula of 1,3-Propanediol, 2-methyl-2-propyl-, bis(p-ethoxycarbanilate) is C25H34N2O6.
What is the molecular weight of 1,3-Propanediol, 2-methyl-2-propyl-, bis(p-ethoxycarbanilate)?
The molecular weight of 1,3-Propanediol, 2-methyl-2-propyl-, bis(p-ethoxycarbanilate) is 458.24 g/mol.
Where can I buy 1,3-Propanediol, 2-methyl-2-propyl-, bis(p-ethoxycarbanilate)?
You can request a quote for 1,3-Propanediol, 2-methyl-2-propyl-, bis(p-ethoxycarbanilate) 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-methyl-2-propyl-, bis(p-ethoxycarbanilate)?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-methyl-2-propyl-, bis(p-ethoxycarbanilate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.