1,3-Propanediol, 2-isopropyl-2-methyl-, bis(acetylcarbamate)
TL;DR: 1,3-Propanediol, 2-isopropyl-2-methyl-, bis(acetylcarbamate) (CAS 25648-84-4) is a chemical compound with molecular formula C13H22N2O6 and molecular weight 302.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(acetylcarbamoyloxymethyl)-2,3-dimethylbutyl] N-acetylcarbamate
Also Known As: Bis 2-isopropyl-2-methyltrimethyleneester, 2-Isopropyl-2-methyl-1,3-propanediol bis(acetylcarbamate), 1,3-Propanediol, 2-isopropyl-2-methyl-, bis(acetylcarbamate), 2-{[(acetylcarbamoyl)oxy]methyl}-2,3-dimethylbutyl acetylcarbamate, Bis(acetylcarbamic acid)2-isopropyl-2-methyltrimethylene ester
| Molecular Formula | C13H22N2O6 |
|---|---|
| Molecular Weight | 302.15 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 302.1478 |
| Heavy Atoms | 21 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 25648-84-4 |
|---|---|
| SMILES | CC(C)C(C)(COC(=O)NC(=O)C)COC(=O)NC(=O)C |
| InChIKey | ZZHZBOWDNSQHCZ-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2-isopropyl-2-methyl-, bis(acetylcarbamate) (CAS 25648-84-4), with molecular formula C13H22N2O6 and molecular weight 302.15 g/mol. IUPAC: [2-(acetylcarbamoyloxymethyl)-2,3-dimethylbutyl] N-acetylcarbamate.
Chemical Property Profile of 1,3-Propanediol, 2-isopropyl-2-methyl-, bis(acetylcarbamate)
Property Insights of 1,3-Propanediol, 2-isopropyl-2-methyl-, bis(acetylcarbamate)
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-isopropyl-2-methyl-, bis(acetylcarbamate). The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-isopropyl-2-methyl-, bis(acetylcarbamate). Following Lipinski's Rule of Five, 1,3-Propanediol, 2-isopropyl-2-methyl-, bis(acetylcarbamate) has 2 hydrogen bond donor(s) and 6 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-isopropyl-2-methyl-, bis(acetylcarbamate)?
The CAS number of 1,3-Propanediol, 2-isopropyl-2-methyl-, bis(acetylcarbamate) is 25648-84-4.
What is the molecular formula of 1,3-Propanediol, 2-isopropyl-2-methyl-, bis(acetylcarbamate)?
The molecular formula of 1,3-Propanediol, 2-isopropyl-2-methyl-, bis(acetylcarbamate) is C13H22N2O6.
What is the molecular weight of 1,3-Propanediol, 2-isopropyl-2-methyl-, bis(acetylcarbamate)?
The molecular weight of 1,3-Propanediol, 2-isopropyl-2-methyl-, bis(acetylcarbamate) is 302.15 g/mol.
Where can I buy 1,3-Propanediol, 2-isopropyl-2-methyl-, bis(acetylcarbamate)?
You can request a quote for 1,3-Propanediol, 2-isopropyl-2-methyl-, bis(acetylcarbamate) 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-isopropyl-2-methyl-, bis(acetylcarbamate)?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-isopropyl-2-methyl-, bis(acetylcarbamate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.