Carbamic acid, dimethyl-, 2-(hydroxymethyl)butyl ester, carbamate (ester)
TL;DR: Carbamic acid, dimethyl-, 2-(hydroxymethyl)butyl ester, carbamate (ester) (CAS 31023-24-2) 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.
2-(carbamoyloxymethyl)butyl N,N-dimethylcarbamate
Also Known As: benzenepropanoic acid, 4-(hexyloxy)-, Dimethylcarbamic acid 2-(hydroxymethyl)butyl ester carbamate (ester), 2-(carbamoyloxymethyl)butyl N,N-dimethylcarbamate, Carbamic acid, dimethyl-, 2-(hydroxymethyl)butyl ester, carbamate (ester), 2-[(carbamoyloxy)methyl]butyl dimethylcarbamate(non-preferred name)
| Molecular Formula | C9H18N2O4 |
|---|---|
| Molecular Weight | 218.13 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 81.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 218.12666 |
| Heavy Atoms | 15 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 31023-24-2 |
|---|---|
| SMILES | CCC(COC(=O)N)COC(=O)N(C)C |
| InChIKey | TWWOBESSFAFJFD-UHFFFAOYSA-N |
Product Overview
Carbamic acid, dimethyl-, 2-(hydroxymethyl)butyl ester, carbamate (ester) (CAS 31023-24-2), with molecular formula C9H18N2O4 and molecular weight 218.13 g/mol. IUPAC: 2-(carbamoyloxymethyl)butyl N,N-dimethylcarbamate.
Chemical Property Profile of Carbamic acid, dimethyl-, 2-(hydroxymethyl)butyl ester, carbamate (ester)
Property Insights of Carbamic acid, dimethyl-, 2-(hydroxymethyl)butyl ester, carbamate (ester)
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, dimethyl-, 2-(hydroxymethyl)butyl ester, carbamate (ester). The TPSA of 81.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, dimethyl-, 2-(hydroxymethyl)butyl ester, carbamate (ester). Following Lipinski's Rule of Five, Carbamic acid, dimethyl-, 2-(hydroxymethyl)butyl ester, carbamate (ester) 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 Carbamic acid, dimethyl-, 2-(hydroxymethyl)butyl ester, carbamate (ester)?
The CAS number of Carbamic acid, dimethyl-, 2-(hydroxymethyl)butyl ester, carbamate (ester) is 31023-24-2.
What is the molecular formula of Carbamic acid, dimethyl-, 2-(hydroxymethyl)butyl ester, carbamate (ester)?
The molecular formula of Carbamic acid, dimethyl-, 2-(hydroxymethyl)butyl ester, carbamate (ester) is C9H18N2O4.
What is the molecular weight of Carbamic acid, dimethyl-, 2-(hydroxymethyl)butyl ester, carbamate (ester)?
The molecular weight of Carbamic acid, dimethyl-, 2-(hydroxymethyl)butyl ester, carbamate (ester) is 218.13 g/mol.
Where can I buy Carbamic acid, dimethyl-, 2-(hydroxymethyl)butyl ester, carbamate (ester)?
You can request a quote for Carbamic acid, dimethyl-, 2-(hydroxymethyl)butyl ester, carbamate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, dimethyl-, 2-(hydroxymethyl)butyl ester, carbamate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, dimethyl-, 2-(hydroxymethyl)butyl ester, carbamate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.