2-(Hydroxymethyl)-2-methylpentyl hydrogen benzylcarbonimidate
TL;DR: 2-(Hydroxymethyl)-2-methylpentyl hydrogen benzylcarbonimidate (CAS 30122-76-0) is a chemical compound with molecular formula C15H23NO3 and molecular weight 265.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(hydroxymethyl)-2-methylpentyl] N-benzylcarbamate
Also Known As: 2-(hydroxymethyl)-2-methylpentyl benzylcarbamate, Benzylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester, [2-(hydroxymethyl)-2-methylpentyl] N-benzylcarbamate, Carbamic acid, benzyl-, 2-(hydroxymethyl)-2-methylpentyl ester, 2-(Hydroxymethyl)-2-methylpentyl hydrogen benzylcarbonimidate
| Molecular Formula | C15H23NO3 |
|---|---|
| Molecular Weight | 265.17 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 265.1678 |
| Heavy Atoms | 19 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 30122-76-0 |
|---|---|
| SMILES | CCCC(C)(CO)COC(=O)NCC1=CC=CC=C1 |
| InChIKey | FQSWAPFQPLQSHF-UHFFFAOYSA-N |
Product Overview
2-(Hydroxymethyl)-2-methylpentyl hydrogen benzylcarbonimidate (CAS 30122-76-0), with molecular formula C15H23NO3 and molecular weight 265.17 g/mol. IUPAC: [2-(hydroxymethyl)-2-methylpentyl] N-benzylcarbamate.
Chemical Property Profile of 2-(Hydroxymethyl)-2-methylpentyl hydrogen benzylcarbonimidate
Property Insights of 2-(Hydroxymethyl)-2-methylpentyl hydrogen benzylcarbonimidate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Hydroxymethyl)-2-methylpentyl hydrogen benzylcarbonimidate. With a topological polar surface area (TPSA) of 58.6 Ų, 2-(Hydroxymethyl)-2-methylpentyl hydrogen benzylcarbonimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Hydroxymethyl)-2-methylpentyl hydrogen benzylcarbonimidate 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 benzylcarbonimidate?
The CAS number of 2-(Hydroxymethyl)-2-methylpentyl hydrogen benzylcarbonimidate is 30122-76-0.
What is the molecular formula of 2-(Hydroxymethyl)-2-methylpentyl hydrogen benzylcarbonimidate?
The molecular formula of 2-(Hydroxymethyl)-2-methylpentyl hydrogen benzylcarbonimidate is C15H23NO3.
What is the molecular weight of 2-(Hydroxymethyl)-2-methylpentyl hydrogen benzylcarbonimidate?
The molecular weight of 2-(Hydroxymethyl)-2-methylpentyl hydrogen benzylcarbonimidate is 265.17 g/mol.
Where can I buy 2-(Hydroxymethyl)-2-methylpentyl hydrogen benzylcarbonimidate?
You can request a quote for 2-(Hydroxymethyl)-2-methylpentyl hydrogen benzylcarbonimidate 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 benzylcarbonimidate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Hydroxymethyl)-2-methylpentyl hydrogen benzylcarbonimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.