Carbamic acid, isopropyl-, 2-methyl-2-propyltrimethylene ester
TL;DR: Carbamic acid, isopropyl-, 2-methyl-2-propyltrimethylene ester (CAS 1729-14-2) is a chemical compound with molecular formula C15H30N2O4 and molecular weight 302.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methyl-2-(propan-2-ylcarbamoyloxymethyl)pentyl] N-propan-2-ylcarbamate
Also Known As: Carisoprodol isopropyl impurity, starbld0006764, 2-Methyl-2-propyltrimethylene isopropylcarbamate, CARBAMIC ACID, ISOPROPYL-, 2-METHYL-2-PROPYLTRIMETHYLENE ESTER, Isopropylcarbamic Acid 2-Methyl-2-propyltrimethylene Ester
| Molecular Formula | C15H30N2O4 |
|---|---|
| Molecular Weight | 302.22 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 302.22055 |
| Heavy Atoms | 21 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 1729-14-2 |
|---|---|
| SMILES | CCCC(C)(COC(=O)NC(C)C)COC(=O)NC(C)C |
| InChIKey | DXXSFIAPOIOUMX-UHFFFAOYSA-N |
Product Overview
Carbamic acid, isopropyl-, 2-methyl-2-propyltrimethylene ester (CAS 1729-14-2), with molecular formula C15H30N2O4 and molecular weight 302.22 g/mol. IUPAC: [2-methyl-2-(propan-2-ylcarbamoyloxymethyl)pentyl] N-propan-2-ylcarbamate.
Chemical Property Profile of Carbamic acid, isopropyl-, 2-methyl-2-propyltrimethylene ester
Property Insights of Carbamic acid, isopropyl-, 2-methyl-2-propyltrimethylene ester
The XLogP value of 3.1 indicates that Carbamic acid, isopropyl-, 2-methyl-2-propyltrimethylene ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, isopropyl-, 2-methyl-2-propyltrimethylene ester. Following Lipinski's Rule of Five, Carbamic acid, isopropyl-, 2-methyl-2-propyltrimethylene ester 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 Carbamic acid, isopropyl-, 2-methyl-2-propyltrimethylene ester?
The CAS number of Carbamic acid, isopropyl-, 2-methyl-2-propyltrimethylene ester is 1729-14-2.
What is the molecular formula of Carbamic acid, isopropyl-, 2-methyl-2-propyltrimethylene ester?
The molecular formula of Carbamic acid, isopropyl-, 2-methyl-2-propyltrimethylene ester is C15H30N2O4.
What is the molecular weight of Carbamic acid, isopropyl-, 2-methyl-2-propyltrimethylene ester?
The molecular weight of Carbamic acid, isopropyl-, 2-methyl-2-propyltrimethylene ester is 302.22 g/mol.
Where can I buy Carbamic acid, isopropyl-, 2-methyl-2-propyltrimethylene ester?
You can request a quote for Carbamic acid, isopropyl-, 2-methyl-2-propyltrimethylene ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, isopropyl-, 2-methyl-2-propyltrimethylene ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, isopropyl-, 2-methyl-2-propyltrimethylene ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.