1,3-Propanediol, 2-methyl-, dicarbamate
TL;DR: 1,3-Propanediol, 2-methyl-, dicarbamate (CAS 5331-25-9) is a chemical compound with molecular formula C6H12N2O4 and molecular weight 176.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-carbamoyloxy-2-methylpropyl) carbamate
Also Known As: 1,3-Propanediol, 2-methyl-, dicarbamate, 2-Methyl-1,3-propanediol dicarbamate, 2-methylpropane-1,3-diyl dicarbamate, 2-methyl-1,3-propanediol-dicarbamate, 4-03-00-00071 (Beilstein Handbook Reference)
| Molecular Formula | C6H12N2O4 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 176.07971 |
| Heavy Atoms | 12 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 5331-25-9 |
|---|---|
| SMILES | CC(COC(=O)N)COC(=O)N |
| InChIKey | BJEMWSMDPJQCBQ-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2-methyl-, dicarbamate (CAS 5331-25-9), with molecular formula C6H12N2O4 and molecular weight 176.08 g/mol. IUPAC: (3-carbamoyloxy-2-methylpropyl) carbamate.
Chemical Property Profile of 1,3-Propanediol, 2-methyl-, dicarbamate
Property Insights of 1,3-Propanediol, 2-methyl-, dicarbamate
The XLogP value of -0.6 indicates that 1,3-Propanediol, 2-methyl-, dicarbamate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-methyl-, dicarbamate. Following Lipinski's Rule of Five, 1,3-Propanediol, 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-methyl-, dicarbamate?
The CAS number of 1,3-Propanediol, 2-methyl-, dicarbamate is 5331-25-9.
What is the molecular formula of 1,3-Propanediol, 2-methyl-, dicarbamate?
The molecular formula of 1,3-Propanediol, 2-methyl-, dicarbamate is C6H12N2O4.
What is the molecular weight of 1,3-Propanediol, 2-methyl-, dicarbamate?
The molecular weight of 1,3-Propanediol, 2-methyl-, dicarbamate is 176.08 g/mol.
Where can I buy 1,3-Propanediol, 2-methyl-, dicarbamate?
You can request a quote for 1,3-Propanediol, 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-methyl-, dicarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-methyl-, dicarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.