Carbamic acid, isopropyl-, 2-(hydroxymethyl)-2,3-dimethylpentyl ester
TL;DR: Carbamic acid, isopropyl-, 2-(hydroxymethyl)-2,3-dimethylpentyl ester (CAS 30146-50-0) is a chemical compound with molecular formula C12H25NO3 and molecular weight 231.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(hydroxymethyl)-2,3-dimethylpentyl] N-propan-2-ylcarbamate
Also Known As: Isopropylcarbamic acid 2-(hydroxymethyl)-2,3-dimethylpentyl ester, [2-(hydroxymethyl)-2,3-dimethylpentyl] N-propan-2-ylcarbamate, Carbamic acid, isopropyl-, 2-(hydroxymethyl)-2,3-dimethylpentyl ester, 2-(hydroxymethyl)-2,3-dimethylpentyl propan-2-ylcarbamate, 2-Methyl-2-sek.-butyl-3-isopropyl-carbamoyloxy-propanol-(1)
| Molecular Formula | C12H25NO3 |
|---|---|
| Molecular Weight | 231.18 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 231.18344 |
| Heavy Atoms | 16 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 30146-50-0 |
|---|---|
| SMILES | CCC(C)C(C)(CO)COC(=O)NC(C)C |
| InChIKey | VBLCEXPSCQTKLT-UHFFFAOYSA-N |
Product Overview
Carbamic acid, isopropyl-, 2-(hydroxymethyl)-2,3-dimethylpentyl ester (CAS 30146-50-0), with molecular formula C12H25NO3 and molecular weight 231.18 g/mol. IUPAC: [2-(hydroxymethyl)-2,3-dimethylpentyl] N-propan-2-ylcarbamate.
Chemical Property Profile of Carbamic acid, isopropyl-, 2-(hydroxymethyl)-2,3-dimethylpentyl ester
Property Insights of Carbamic acid, isopropyl-, 2-(hydroxymethyl)-2,3-dimethylpentyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, isopropyl-, 2-(hydroxymethyl)-2,3-dimethylpentyl ester. With a topological polar surface area (TPSA) of 58.6 Ų, Carbamic acid, isopropyl-, 2-(hydroxymethyl)-2,3-dimethylpentyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, isopropyl-, 2-(hydroxymethyl)-2,3-dimethylpentyl ester has 2 hydrogen bond donor(s) and 3 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-(hydroxymethyl)-2,3-dimethylpentyl ester?
The CAS number of Carbamic acid, isopropyl-, 2-(hydroxymethyl)-2,3-dimethylpentyl ester is 30146-50-0.
What is the molecular formula of Carbamic acid, isopropyl-, 2-(hydroxymethyl)-2,3-dimethylpentyl ester?
The molecular formula of Carbamic acid, isopropyl-, 2-(hydroxymethyl)-2,3-dimethylpentyl ester is C12H25NO3.
What is the molecular weight of Carbamic acid, isopropyl-, 2-(hydroxymethyl)-2,3-dimethylpentyl ester?
The molecular weight of Carbamic acid, isopropyl-, 2-(hydroxymethyl)-2,3-dimethylpentyl ester is 231.18 g/mol.
Where can I buy Carbamic acid, isopropyl-, 2-(hydroxymethyl)-2,3-dimethylpentyl ester?
You can request a quote for Carbamic acid, isopropyl-, 2-(hydroxymethyl)-2,3-dimethylpentyl 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-(hydroxymethyl)-2,3-dimethylpentyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, isopropyl-, 2-(hydroxymethyl)-2,3-dimethylpentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.