1,3-Propanediol, 2-butyl-2-methyl-, carbamate, methylcarbamate
TL;DR: 1,3-Propanediol, 2-butyl-2-methyl-, carbamate, methylcarbamate (CAS 25385-00-6) is a chemical compound with molecular formula C11H22N2O4 and molecular weight 246.15796 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(carbamoyloxymethyl)-2-methylhexyl] N-methylcarbamate
Also Known As: 2-Butyl-2-methyl-1,3-propanediol carbamate methylcarbamate, N-Methylcarbamicacid2- -2-methylhexylester, [2-(carbamoyloxymethyl)-2-methylhexyl] N-methylcarbamate, 1,3-Propanediol, 2-butyl-2-methyl-, carbamate, methylcarbamate, 2-[(Carbamoyloxy)methyl]-2-methylhexyl methylcarbamate
Technical Specifications
| Molecular Formula | C11H22N2O4 |
| Molecular Weight | 246.15796 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 90.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 246.15796 Da |
| Heavy Atoms | 17 |
| Complexity | 258.0 |
| SMILES | CCCCC(C)(COC(=O)N)COC(=O)NC |
| InChIKey | PKPLURVGDLZTTR-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Propanediol, 2-butyl-2-methyl-, carbamate, methylcarbamate
Property Insights of 1,3-Propanediol, 2-butyl-2-methyl-, carbamate, methylcarbamate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-butyl-2-methyl-, carbamate, methylcarbamate. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-butyl-2-methyl-, carbamate, methylcarbamate. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-butyl-2-methyl-, carbamate, methylcarbamate 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
What is the CAS number of 1,3-Propanediol, 2-butyl-2-methyl-, carbamate, methylcarbamate?
The CAS number of 1,3-Propanediol, 2-butyl-2-methyl-, carbamate, methylcarbamate is 25385-00-6.
What is the molecular formula of 1,3-Propanediol, 2-butyl-2-methyl-, carbamate, methylcarbamate?
The molecular formula of 1,3-Propanediol, 2-butyl-2-methyl-, carbamate, methylcarbamate is C11H22N2O4.
What is the molecular weight of 1,3-Propanediol, 2-butyl-2-methyl-, carbamate, methylcarbamate?
The molecular weight of 1,3-Propanediol, 2-butyl-2-methyl-, carbamate, methylcarbamate is 246.15796 g/mol.
Where can I buy 1,3-Propanediol, 2-butyl-2-methyl-, carbamate, methylcarbamate?
You can request a quote for 1,3-Propanediol, 2-butyl-2-methyl-, carbamate, methylcarbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Propanediol, 2-butyl-2-methyl-, carbamate, methylcarbamate?
Yes, CoreyChem provides custom synthesis services for 1,3-Propanediol, 2-butyl-2-methyl-, carbamate, methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.