1,3-Propanediol, 2,2-diethyl-, N-methoxy-N-methylcarbamate
TL;DR: 1,3-Propanediol, 2,2-diethyl-, N-methoxy-N-methylcarbamate (CAS 25652-10-2) is a chemical compound with molecular formula C10H21NO4 and molecular weight 219.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-ethyl-2-(hydroxymethyl)butyl] N-methoxy-N-methylcarbamate
Also Known As: 1,3-Propanediol, 2,2-diethyl-, N-methoxy-N-methylcarbamate, 2-ethyl-2-(hydroxymethyl)butyl methoxy(methyl)carbamate, 2,2-Diethyl-1,3-propanediol N-methoxy-N-methylcarbamate, p-Ethylphosphonamidodithioic acid methyl ester, Phosphonamidodithioic acid, p-ethyl-, methyl ester
| Molecular Formula | C10H21NO4 |
|---|---|
| Molecular Weight | 219.15 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 219.14706 |
| Heavy Atoms | 15 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 25652-10-2 |
|---|---|
| SMILES | CCC(CC)(CO)COC(=O)N(C)OC |
| InChIKey | YWQOTUHPZDSZMT-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2,2-diethyl-, N-methoxy-N-methylcarbamate (CAS 25652-10-2), with molecular formula C10H21NO4 and molecular weight 219.15 g/mol. IUPAC: [2-ethyl-2-(hydroxymethyl)butyl] N-methoxy-N-methylcarbamate.
Chemical Property Profile of 1,3-Propanediol, 2,2-diethyl-, N-methoxy-N-methylcarbamate
Property Insights of 1,3-Propanediol, 2,2-diethyl-, N-methoxy-N-methylcarbamate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2,2-diethyl-, N-methoxy-N-methylcarbamate. With a topological polar surface area (TPSA) of 59.0 Ų, 1,3-Propanediol, 2,2-diethyl-, N-methoxy-N-methylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediol, 2,2-diethyl-, N-methoxy-N-methylcarbamate has 1 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, 2,2-diethyl-, N-methoxy-N-methylcarbamate?
The CAS number of 1,3-Propanediol, 2,2-diethyl-, N-methoxy-N-methylcarbamate is 25652-10-2.
What is the molecular formula of 1,3-Propanediol, 2,2-diethyl-, N-methoxy-N-methylcarbamate?
The molecular formula of 1,3-Propanediol, 2,2-diethyl-, N-methoxy-N-methylcarbamate is C10H21NO4.
What is the molecular weight of 1,3-Propanediol, 2,2-diethyl-, N-methoxy-N-methylcarbamate?
The molecular weight of 1,3-Propanediol, 2,2-diethyl-, N-methoxy-N-methylcarbamate is 219.15 g/mol.
Where can I buy 1,3-Propanediol, 2,2-diethyl-, N-methoxy-N-methylcarbamate?
You can request a quote for 1,3-Propanediol, 2,2-diethyl-, N-methoxy-N-methylcarbamate 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, 2,2-diethyl-, N-methoxy-N-methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2,2-diethyl-, N-methoxy-N-methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.