1,3-Propanediol, 2-(p-chlorobenzyl)-2-methyl-, dicarbamate
TL;DR: 1,3-Propanediol, 2-(p-chlorobenzyl)-2-methyl-, dicarbamate (CAS 2109-30-0) is a chemical compound with molecular formula C13H17ClN2O4 and molecular weight 300.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(carbamoyloxymethyl)-3-(4-chlorophenyl)-2-methylpropyl] carbamate
Also Known As: NIOSH/TY4420200, 1,3-Propanediol, 2-(p-chlorobenzyl)-2-methyl-, dicarbamate, 2-(p-Chlorobenzyl)-2-methyl-1,3-propanediol dicarbamate, 2-(p-Chlorophenyl)-2-methyl-1,3-propanediol dicarbamate, 1,3-Propanediol, 2-(p-chlorophenyl)-2-methyl-, dicarbamate
| Molecular Formula | C13H17ClN2O4 |
|---|---|
| Molecular Weight | 300.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 300.08768 |
| Heavy Atoms | 20 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 2109-30-0 |
|---|---|
| SMILES | CC(CC1=CC=C(C=C1)Cl)(COC(=O)N)COC(=O)N |
| InChIKey | VZNMZFGEGUYCIW-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2-(p-chlorobenzyl)-2-methyl-, dicarbamate (CAS 2109-30-0), with molecular formula C13H17ClN2O4 and molecular weight 300.09 g/mol. IUPAC: [2-(carbamoyloxymethyl)-3-(4-chlorophenyl)-2-methylpropyl] carbamate.
Chemical Property Profile of 1,3-Propanediol, 2-(p-chlorobenzyl)-2-methyl-, dicarbamate
Property Insights of 1,3-Propanediol, 2-(p-chlorobenzyl)-2-methyl-, dicarbamate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-(p-chlorobenzyl)-2-methyl-, dicarbamate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-(p-chlorobenzyl)-2-methyl-, dicarbamate. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-(p-chlorobenzyl)-2-methyl-, dicarbamate 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 1,3-Propanediol, 2-(p-chlorobenzyl)-2-methyl-, dicarbamate?
The CAS number of 1,3-Propanediol, 2-(p-chlorobenzyl)-2-methyl-, dicarbamate is 2109-30-0.
What is the molecular formula of 1,3-Propanediol, 2-(p-chlorobenzyl)-2-methyl-, dicarbamate?
The molecular formula of 1,3-Propanediol, 2-(p-chlorobenzyl)-2-methyl-, dicarbamate is C13H17ClN2O4.
What is the molecular weight of 1,3-Propanediol, 2-(p-chlorobenzyl)-2-methyl-, dicarbamate?
The molecular weight of 1,3-Propanediol, 2-(p-chlorobenzyl)-2-methyl-, dicarbamate is 300.09 g/mol.
Where can I buy 1,3-Propanediol, 2-(p-chlorobenzyl)-2-methyl-, dicarbamate?
You can request a quote for 1,3-Propanediol, 2-(p-chlorobenzyl)-2-methyl-, dicarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Propanediol, 2-(p-chlorobenzyl)-2-methyl-, dicarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-(p-chlorobenzyl)-2-methyl-, dicarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.