2-(Hydroxymethyl)-2-methylpentyl hydrogen (2-methylpropyl)carbonimidate
TL;DR: 2-(Hydroxymethyl)-2-methylpentyl hydrogen (2-methylpropyl)carbonimidate (CAS 25384-33-2) 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-methylpentyl] N-(2-methylpropyl)carbamate
Also Known As: 2-Methyl-2-propyl-1,3-propanediol isobutylcarbamate, 1,3-Propanediol, 2-methyl-2-propyl-, isobutylcarbamate, 2-(hydroxymethyl)-2-methylpentyl isobutylcarbamate, 2-(Hydroxymethyl)-2-methylpentyl=isobutylcarbamate, [2-(hydroxymethyl)-2-methylpentyl] N-(2-methylpropyl)carbamate
| Molecular Formula | C12H25NO3 |
|---|---|
| Molecular Weight | 231.18 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 231.18344 |
| Heavy Atoms | 16 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 25384-33-2 |
|---|---|
| SMILES | CCCC(C)(CO)COC(=O)NCC(C)C |
| InChIKey | WBEZOZLFWDHDKW-UHFFFAOYSA-N |
Product Overview
2-(Hydroxymethyl)-2-methylpentyl hydrogen (2-methylpropyl)carbonimidate (CAS 25384-33-2), with molecular formula C12H25NO3 and molecular weight 231.18 g/mol. IUPAC: [2-(hydroxymethyl)-2-methylpentyl] N-(2-methylpropyl)carbamate.
Chemical Property Profile of 2-(Hydroxymethyl)-2-methylpentyl hydrogen (2-methylpropyl)carbonimidate
Property Insights of 2-(Hydroxymethyl)-2-methylpentyl hydrogen (2-methylpropyl)carbonimidate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Hydroxymethyl)-2-methylpentyl hydrogen (2-methylpropyl)carbonimidate. With a topological polar surface area (TPSA) of 58.6 Ų, 2-(Hydroxymethyl)-2-methylpentyl hydrogen (2-methylpropyl)carbonimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Hydroxymethyl)-2-methylpentyl hydrogen (2-methylpropyl)carbonimidate 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 2-(Hydroxymethyl)-2-methylpentyl hydrogen (2-methylpropyl)carbonimidate?
The CAS number of 2-(Hydroxymethyl)-2-methylpentyl hydrogen (2-methylpropyl)carbonimidate is 25384-33-2.
What is the molecular formula of 2-(Hydroxymethyl)-2-methylpentyl hydrogen (2-methylpropyl)carbonimidate?
The molecular formula of 2-(Hydroxymethyl)-2-methylpentyl hydrogen (2-methylpropyl)carbonimidate is C12H25NO3.
What is the molecular weight of 2-(Hydroxymethyl)-2-methylpentyl hydrogen (2-methylpropyl)carbonimidate?
The molecular weight of 2-(Hydroxymethyl)-2-methylpentyl hydrogen (2-methylpropyl)carbonimidate is 231.18 g/mol.
Where can I buy 2-(Hydroxymethyl)-2-methylpentyl hydrogen (2-methylpropyl)carbonimidate?
You can request a quote for 2-(Hydroxymethyl)-2-methylpentyl hydrogen (2-methylpropyl)carbonimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Hydroxymethyl)-2-methylpentyl hydrogen (2-methylpropyl)carbonimidate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Hydroxymethyl)-2-methylpentyl hydrogen (2-methylpropyl)carbonimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.