1,3-Propanediol, 2-(p-butylthiophenyl)-2-ethyl-, dicarbamate
TL;DR: 1,3-Propanediol, 2-(p-butylthiophenyl)-2-ethyl-, dicarbamate (CAS 25451-06-3) is a chemical compound with molecular formula C17H26N2O4S and molecular weight 354.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-butylsulfanylphenyl)-2-(carbamoyloxymethyl)butyl] carbamate
Also Known As: 1,3-Propanediol, 2-(p-butylthiophenyl)-2-ethyl-, dicarbamate, 2-(p-Butylmercaptophenyl)-2-ethyl-1,3-propanediol dicarbamate, 1,3-propanediol, 2-[4-(butylthio)phenyl]-2-ethyl-, dicarbamate, 2-Ethyl-2-(p-butylmercapto-phenyl)-1,3-dicarbamoyloxypropan, [2-(4-butylsulfanylphenyl)-2-(carbamoyloxymethyl)butyl] carbamate
| Molecular Formula | C17H26N2O4S |
|---|---|
| Molecular Weight | 354.16 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 354.16132 |
| Heavy Atoms | 24 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 25451-06-3 |
|---|---|
| SMILES | CCCCSC1=CC=C(C=C1)C(CC)(COC(=O)N)COC(=O)N |
| InChIKey | BUHTVBNGCWQMMA-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2-(p-butylthiophenyl)-2-ethyl-, dicarbamate (CAS 25451-06-3), with molecular formula C17H26N2O4S and molecular weight 354.16 g/mol. IUPAC: [2-(4-butylsulfanylphenyl)-2-(carbamoyloxymethyl)butyl] carbamate.
Chemical Property Profile of 1,3-Propanediol, 2-(p-butylthiophenyl)-2-ethyl-, dicarbamate
Property Insights of 1,3-Propanediol, 2-(p-butylthiophenyl)-2-ethyl-, dicarbamate
The XLogP value of 3.3 indicates that 1,3-Propanediol, 2-(p-butylthiophenyl)-2-ethyl-, dicarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-(p-butylthiophenyl)-2-ethyl-, dicarbamate. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-(p-butylthiophenyl)-2-ethyl-, dicarbamate has 2 hydrogen bond donor(s) and 5 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-(p-butylthiophenyl)-2-ethyl-, dicarbamate?
The CAS number of 1,3-Propanediol, 2-(p-butylthiophenyl)-2-ethyl-, dicarbamate is 25451-06-3.
What is the molecular formula of 1,3-Propanediol, 2-(p-butylthiophenyl)-2-ethyl-, dicarbamate?
The molecular formula of 1,3-Propanediol, 2-(p-butylthiophenyl)-2-ethyl-, dicarbamate is C17H26N2O4S.
What is the molecular weight of 1,3-Propanediol, 2-(p-butylthiophenyl)-2-ethyl-, dicarbamate?
The molecular weight of 1,3-Propanediol, 2-(p-butylthiophenyl)-2-ethyl-, dicarbamate is 354.16 g/mol.
Where can I buy 1,3-Propanediol, 2-(p-butylthiophenyl)-2-ethyl-, dicarbamate?
You can request a quote for 1,3-Propanediol, 2-(p-butylthiophenyl)-2-ethyl-, dicarbamate 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-(p-butylthiophenyl)-2-ethyl-, dicarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-(p-butylthiophenyl)-2-ethyl-, dicarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.