2-(Hydroxymethyl)-2-methylhexyl hydrogen carbonimidate
TL;DR: 2-(Hydroxymethyl)-2-methylhexyl hydrogen carbonimidate (CAS 25451-56-3) is a chemical compound with molecular formula C9H19NO3 and molecular weight 189.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(hydroxymethyl)-2-methylhexyl] carbamate
Also Known As: 1,3-Propanediol, 2-butyl-2-methyl-, carbamate, 3-hydroxy-2-phenylpropyl aminooate, 2-(hydroxymethyl)-2-methylhexyl carbamate, 2-Butyl-2-methyl-1,3-propanediol monocarbamate, [2-(hydroxymethyl)-2-methylhexyl] carbamate
| Molecular Formula | C9H19NO3 |
|---|---|
| Molecular Weight | 189.14 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 189.13649 |
| Heavy Atoms | 13 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 25451-56-3 |
|---|---|
| SMILES | CCCCC(C)(CO)COC(=O)N |
| InChIKey | FEMYUNCOXYVXAB-UHFFFAOYSA-N |
Product Overview
2-(Hydroxymethyl)-2-methylhexyl hydrogen carbonimidate (CAS 25451-56-3), with molecular formula C9H19NO3 and molecular weight 189.14 g/mol. IUPAC: [2-(hydroxymethyl)-2-methylhexyl] carbamate.
Chemical Property Profile of 2-(Hydroxymethyl)-2-methylhexyl hydrogen carbonimidate
Property Insights of 2-(Hydroxymethyl)-2-methylhexyl hydrogen carbonimidate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Hydroxymethyl)-2-methylhexyl hydrogen carbonimidate. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Hydroxymethyl)-2-methylhexyl hydrogen carbonimidate. Following Lipinski's Rule of Five, 2-(Hydroxymethyl)-2-methylhexyl hydrogen 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-methylhexyl hydrogen carbonimidate?
The CAS number of 2-(Hydroxymethyl)-2-methylhexyl hydrogen carbonimidate is 25451-56-3.
What is the molecular formula of 2-(Hydroxymethyl)-2-methylhexyl hydrogen carbonimidate?
The molecular formula of 2-(Hydroxymethyl)-2-methylhexyl hydrogen carbonimidate is C9H19NO3.
What is the molecular weight of 2-(Hydroxymethyl)-2-methylhexyl hydrogen carbonimidate?
The molecular weight of 2-(Hydroxymethyl)-2-methylhexyl hydrogen carbonimidate is 189.14 g/mol.
Where can I buy 2-(Hydroxymethyl)-2-methylhexyl hydrogen carbonimidate?
You can request a quote for 2-(Hydroxymethyl)-2-methylhexyl hydrogen 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-methylhexyl hydrogen carbonimidate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Hydroxymethyl)-2-methylhexyl hydrogen carbonimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.