1,3-Propanediol, 2-butyl-2-ethyl-, carbamate, methylcarbamate
TL;DR: 1,3-Propanediol, 2-butyl-2-ethyl-, carbamate, methylcarbamate (CAS 25385-23-3) is a chemical compound with molecular formula C12H24N2O4 and molecular weight 260.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(carbamoyloxymethyl)-2-ethylhexyl] N-methylcarbamate
Also Known As: 2-Butyl-2-ethyl-1,3-propanediol carbamate methylcarbamate, 1,3-Propanediol, 2-butyl-2-ethyl-, carbamate, methylcarbamate, 2-[(carbamoyloxy)methyl]-2-ethylhexyl methylcarbamate, N-Methyl-2-ethyl-2-butyl-1,3-dicarbamoyloxy-propan, [2-(carbamoyloxymethyl)-2-ethylhexyl] N-methylcarbamate
| Molecular Formula | C12H24N2O4 |
|---|---|
| Molecular Weight | 260.17 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 260.1736 |
| Heavy Atoms | 18 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 25385-23-3 |
|---|---|
| SMILES | CCCCC(CC)(COC(=O)N)COC(=O)NC |
| InChIKey | ATHNPVQWHCXXBZ-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2-butyl-2-ethyl-, carbamate, methylcarbamate (CAS 25385-23-3), with molecular formula C12H24N2O4 and molecular weight 260.17 g/mol. IUPAC: [2-(carbamoyloxymethyl)-2-ethylhexyl] N-methylcarbamate.
Chemical Property Profile of 1,3-Propanediol, 2-butyl-2-ethyl-, carbamate, methylcarbamate
Property Insights of 1,3-Propanediol, 2-butyl-2-ethyl-, carbamate, methylcarbamate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-butyl-2-ethyl-, carbamate, methylcarbamate. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-butyl-2-ethyl-, carbamate, methylcarbamate. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-butyl-2-ethyl-, carbamate, methylcarbamate 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-butyl-2-ethyl-, carbamate, methylcarbamate?
The CAS number of 1,3-Propanediol, 2-butyl-2-ethyl-, carbamate, methylcarbamate is 25385-23-3.
What is the molecular formula of 1,3-Propanediol, 2-butyl-2-ethyl-, carbamate, methylcarbamate?
The molecular formula of 1,3-Propanediol, 2-butyl-2-ethyl-, carbamate, methylcarbamate is C12H24N2O4.
What is the molecular weight of 1,3-Propanediol, 2-butyl-2-ethyl-, carbamate, methylcarbamate?
The molecular weight of 1,3-Propanediol, 2-butyl-2-ethyl-, carbamate, methylcarbamate is 260.17 g/mol.
Where can I buy 1,3-Propanediol, 2-butyl-2-ethyl-, carbamate, methylcarbamate?
You can request a quote for 1,3-Propanediol, 2-butyl-2-ethyl-, carbamate, 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-butyl-2-ethyl-, carbamate, methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-butyl-2-ethyl-, carbamate, methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.