1,3-Propanediol, 2-ethyl-2-(3-thienyl)-, dicarbamate
TL;DR: 1,3-Propanediol, 2-ethyl-2-(3-thienyl)-, dicarbamate (CAS 30588-33-1) is a chemical compound with molecular formula C11H16N2O4S and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(carbamoyloxymethyl)-2-thiophen-3-ylbutyl] carbamate
Also Known As: 1,3-Propanediol, 2-ethyl-2-(3-thienyl)-, dicarbamate, 2-Ethyl-2-(3-thienyl)-1,3-propanediol dicarbamate, [2-(carbamoyloxymethyl)-2-thiophen-3-ylbutyl] carbamate, 2-[(carbamoyloxy)methyl]-2-(thiophen-3-yl)butyl carbamate(non-preferred name), RefChem:1053039
| Molecular Formula | C11H16N2O4S |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 272.08307 |
| Heavy Atoms | 18 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 30588-33-1 |
|---|---|
| SMILES | CCC(COC(=O)N)(COC(=O)N)C1=CSC=C1 |
| InChIKey | AKLDSRHPOBDCIM-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2-ethyl-2-(3-thienyl)-, dicarbamate (CAS 30588-33-1), with molecular formula C11H16N2O4S and molecular weight 272.08 g/mol. IUPAC: [2-(carbamoyloxymethyl)-2-thiophen-3-ylbutyl] carbamate.
Chemical Property Profile of 1,3-Propanediol, 2-ethyl-2-(3-thienyl)-, dicarbamate
Property Insights of 1,3-Propanediol, 2-ethyl-2-(3-thienyl)-, dicarbamate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-ethyl-2-(3-thienyl)-, dicarbamate. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-ethyl-2-(3-thienyl)-, dicarbamate. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-ethyl-2-(3-thienyl)-, 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-ethyl-2-(3-thienyl)-, dicarbamate?
The CAS number of 1,3-Propanediol, 2-ethyl-2-(3-thienyl)-, dicarbamate is 30588-33-1.
What is the molecular formula of 1,3-Propanediol, 2-ethyl-2-(3-thienyl)-, dicarbamate?
The molecular formula of 1,3-Propanediol, 2-ethyl-2-(3-thienyl)-, dicarbamate is C11H16N2O4S.
What is the molecular weight of 1,3-Propanediol, 2-ethyl-2-(3-thienyl)-, dicarbamate?
The molecular weight of 1,3-Propanediol, 2-ethyl-2-(3-thienyl)-, dicarbamate is 272.08 g/mol.
Where can I buy 1,3-Propanediol, 2-ethyl-2-(3-thienyl)-, dicarbamate?
You can request a quote for 1,3-Propanediol, 2-ethyl-2-(3-thienyl)-, 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-ethyl-2-(3-thienyl)-, dicarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-ethyl-2-(3-thienyl)-, dicarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.