1,3-Propanediol, 2-(1-ethylpropyl)-, dicarbamate
TL;DR: 1,3-Propanediol, 2-(1-ethylpropyl)-, dicarbamate (CAS 3070-71-1) is a chemical compound with molecular formula C10H20N2O4 and molecular weight 232.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(carbamoyloxymethyl)-3-ethylpentyl] carbamate
Also Known As: 1,3-Propanediol, 2-(1-ethylpropyl)-, dicarbamate, 2-(1-Ethylpropyl)-1,3-propanediol dicarbamate, [2-(carbamoyloxymethyl)-3-ethylpentyl] carbamate, 2-[(Carbamoyloxy)methyl]-3-ethylpentyl carbamate, 2-[(carbamoyloxy)methyl]-3-ethylpentyl carbamate(non-preferred name)
| Molecular Formula | C10H20N2O4 |
|---|---|
| Molecular Weight | 232.14 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 232.1423 |
| Heavy Atoms | 16 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 3070-71-1 |
|---|---|
| SMILES | CCC(CC)C(COC(=O)N)COC(=O)N |
| InChIKey | SNWVNJOMBDAVRP-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2-(1-ethylpropyl)-, dicarbamate (CAS 3070-71-1), with molecular formula C10H20N2O4 and molecular weight 232.14 g/mol. IUPAC: [2-(carbamoyloxymethyl)-3-ethylpentyl] carbamate.
Chemical Property Profile of 1,3-Propanediol, 2-(1-ethylpropyl)-, dicarbamate
Property Insights of 1,3-Propanediol, 2-(1-ethylpropyl)-, dicarbamate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-(1-ethylpropyl)-, dicarbamate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-(1-ethylpropyl)-, dicarbamate. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-(1-ethylpropyl)-, dicarbamate 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-(1-ethylpropyl)-, dicarbamate?
The CAS number of 1,3-Propanediol, 2-(1-ethylpropyl)-, dicarbamate is 3070-71-1.
What is the molecular formula of 1,3-Propanediol, 2-(1-ethylpropyl)-, dicarbamate?
The molecular formula of 1,3-Propanediol, 2-(1-ethylpropyl)-, dicarbamate is C10H20N2O4.
What is the molecular weight of 1,3-Propanediol, 2-(1-ethylpropyl)-, dicarbamate?
The molecular weight of 1,3-Propanediol, 2-(1-ethylpropyl)-, dicarbamate is 232.14 g/mol.
Where can I buy 1,3-Propanediol, 2-(1-ethylpropyl)-, dicarbamate?
You can request a quote for 1,3-Propanediol, 2-(1-ethylpropyl)-, 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-(1-ethylpropyl)-, dicarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-(1-ethylpropyl)-, dicarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.