1,3-Propanediol, 2-butyl-2-methyl-, butylcarbamate, carbamate
TL;DR: 1,3-Propanediol, 2-butyl-2-methyl-, butylcarbamate, carbamate (CAS 25385-06-2) is a chemical compound with molecular formula C14H28N2O4 and molecular weight 288.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(carbamoyloxymethyl)-2-methylhexyl] N-butylcarbamate
Also Known As: 2-Butyl-2-methyl-1,3-propanediol butylcarbamate carbamate, 2-[(carbamoyloxy)methyl]-2-methylhexyl butylcarbamate, 1,3-Propanediol, 2-butyl-2-methyl-, butylcarbamate, carbamate, [2-(carbamoyloxymethyl)-2-methylhexyl] N-butylcarbamate, 2-[(CARBAMOYLOXY)METHYL]-2-METHYLHEXYL N-BUTYLCARBAMATE
| Molecular Formula | C14H28N2O4 |
|---|---|
| Molecular Weight | 288.20 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 288.2049 |
| Heavy Atoms | 20 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 25385-06-2 |
|---|---|
| SMILES | CCCCC(C)(COC(=O)N)COC(=O)NCCCC |
| InChIKey | YDBOSOSNSKVUHP-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2-butyl-2-methyl-, butylcarbamate, carbamate (CAS 25385-06-2), with molecular formula C14H28N2O4 and molecular weight 288.20 g/mol. IUPAC: [2-(carbamoyloxymethyl)-2-methylhexyl] N-butylcarbamate.
Chemical Property Profile of 1,3-Propanediol, 2-butyl-2-methyl-, butylcarbamate, carbamate
Property Insights of 1,3-Propanediol, 2-butyl-2-methyl-, butylcarbamate, carbamate
The XLogP value of 3.1 indicates that 1,3-Propanediol, 2-butyl-2-methyl-, butylcarbamate, carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-butyl-2-methyl-, butylcarbamate, carbamate. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-butyl-2-methyl-, butylcarbamate, carbamate 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-methyl-, butylcarbamate, carbamate?
The CAS number of 1,3-Propanediol, 2-butyl-2-methyl-, butylcarbamate, carbamate is 25385-06-2.
What is the molecular formula of 1,3-Propanediol, 2-butyl-2-methyl-, butylcarbamate, carbamate?
The molecular formula of 1,3-Propanediol, 2-butyl-2-methyl-, butylcarbamate, carbamate is C14H28N2O4.
What is the molecular weight of 1,3-Propanediol, 2-butyl-2-methyl-, butylcarbamate, carbamate?
The molecular weight of 1,3-Propanediol, 2-butyl-2-methyl-, butylcarbamate, carbamate is 288.20 g/mol.
Where can I buy 1,3-Propanediol, 2-butyl-2-methyl-, butylcarbamate, carbamate?
You can request a quote for 1,3-Propanediol, 2-butyl-2-methyl-, butylcarbamate, carbamate 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-methyl-, butylcarbamate, carbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-butyl-2-methyl-, butylcarbamate, carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.