1,3-Propanediol, 2,2-dimethyl-, carbamate dimethylcarbamate
TL;DR: 1,3-Propanediol, 2,2-dimethyl-, carbamate dimethylcarbamate (CAS 25642-73-3) is a chemical compound with molecular formula C9H18N2O4 and molecular weight 218.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-carbamoyloxy-2,2-dimethylpropyl) N,N-dimethylcarbamate
Also Known As: 1,3-Propanediol, 2,2-dimethyl-, carbamate dimethylcarbamate, 2,2-Dimethyl-1,3-propanediol carbamate dimethylcarbamate, 3-(carbamoyloxy)-2,2-dimethylpropyl dimethylcarbamate, (3-carbamoyloxy-2,2-dimethylpropyl) N,N-dimethylcarbamate, N,N-Dimethylcarbamicacid3- -2,2-dimethylpropylester
| Molecular Formula | C9H18N2O4 |
|---|---|
| Molecular Weight | 218.13 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 81.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 218.12666 |
| Heavy Atoms | 15 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 25642-73-3 |
|---|---|
| SMILES | CC(C)(COC(=O)N)COC(=O)N(C)C |
| InChIKey | MGZOLDRJCCCSOA-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2,2-dimethyl-, carbamate dimethylcarbamate (CAS 25642-73-3), with molecular formula C9H18N2O4 and molecular weight 218.13 g/mol. IUPAC: (3-carbamoyloxy-2,2-dimethylpropyl) N,N-dimethylcarbamate.
Chemical Property Profile of 1,3-Propanediol, 2,2-dimethyl-, carbamate dimethylcarbamate
Property Insights of 1,3-Propanediol, 2,2-dimethyl-, carbamate dimethylcarbamate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2,2-dimethyl-, carbamate dimethylcarbamate. The TPSA of 81.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2,2-dimethyl-, carbamate dimethylcarbamate. Following Lipinski's Rule of Five, 1,3-Propanediol, 2,2-dimethyl-, carbamate dimethylcarbamate has 1 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, 2,2-dimethyl-, carbamate dimethylcarbamate?
The CAS number of 1,3-Propanediol, 2,2-dimethyl-, carbamate dimethylcarbamate is 25642-73-3.
What is the molecular formula of 1,3-Propanediol, 2,2-dimethyl-, carbamate dimethylcarbamate?
The molecular formula of 1,3-Propanediol, 2,2-dimethyl-, carbamate dimethylcarbamate is C9H18N2O4.
What is the molecular weight of 1,3-Propanediol, 2,2-dimethyl-, carbamate dimethylcarbamate?
The molecular weight of 1,3-Propanediol, 2,2-dimethyl-, carbamate dimethylcarbamate is 218.13 g/mol.
Where can I buy 1,3-Propanediol, 2,2-dimethyl-, carbamate dimethylcarbamate?
You can request a quote for 1,3-Propanediol, 2,2-dimethyl-, carbamate dimethylcarbamate 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, 2,2-dimethyl-, carbamate dimethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2,2-dimethyl-, carbamate dimethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.