(2-Ethyl-2-methyl-1,3-oxathiolan-5-yl)methyl hydrogen carbonimidate
TL;DR: (2-Ethyl-2-methyl-1,3-oxathiolan-5-yl)methyl hydrogen carbonimidate (CAS 5466-16-0) is a chemical compound with molecular formula C8H15NO3S and molecular weight 205.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-ethyl-2-methyl-1,3-oxathiolan-5-yl)methyl carbamate
Also Known As: 2-Ethyl-2-methyl-1,3-oxathiolane-5-methanol carbamate, (2-ethyl-2-methyl-1,3-oxathiolan-5-yl)methyl carbamate, 5-19-02-00390 (Beilstein Handbook Reference), 1,3-Oxathiolane-5-methanol, 2-ethyl-2-methyl-, carbamate, 2-Ethyl-2-methyl-1,3-oxathiolane-5-methanolcarbamate
| Molecular Formula | C8H15NO3S |
|---|---|
| Molecular Weight | 205.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 205.07727 |
| Heavy Atoms | 13 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 5466-16-0 |
|---|---|
| SMILES | CCC1(OC(CS1)COC(=O)N)C |
| InChIKey | UWLKDGGLSVPEJT-UHFFFAOYSA-N |
Product Overview
(2-Ethyl-2-methyl-1,3-oxathiolan-5-yl)methyl hydrogen carbonimidate (CAS 5466-16-0), with molecular formula C8H15NO3S and molecular weight 205.08 g/mol. IUPAC: (2-ethyl-2-methyl-1,3-oxathiolan-5-yl)methyl carbamate.
Chemical Property Profile of (2-Ethyl-2-methyl-1,3-oxathiolan-5-yl)methyl hydrogen carbonimidate
Property Insights of (2-Ethyl-2-methyl-1,3-oxathiolan-5-yl)methyl hydrogen carbonimidate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Ethyl-2-methyl-1,3-oxathiolan-5-yl)methyl hydrogen carbonimidate. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Ethyl-2-methyl-1,3-oxathiolan-5-yl)methyl hydrogen carbonimidate. Following Lipinski's Rule of Five, (2-Ethyl-2-methyl-1,3-oxathiolan-5-yl)methyl hydrogen carbonimidate 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 (2-Ethyl-2-methyl-1,3-oxathiolan-5-yl)methyl hydrogen carbonimidate?
The CAS number of (2-Ethyl-2-methyl-1,3-oxathiolan-5-yl)methyl hydrogen carbonimidate is 5466-16-0.
What is the molecular formula of (2-Ethyl-2-methyl-1,3-oxathiolan-5-yl)methyl hydrogen carbonimidate?
The molecular formula of (2-Ethyl-2-methyl-1,3-oxathiolan-5-yl)methyl hydrogen carbonimidate is C8H15NO3S.
What is the molecular weight of (2-Ethyl-2-methyl-1,3-oxathiolan-5-yl)methyl hydrogen carbonimidate?
The molecular weight of (2-Ethyl-2-methyl-1,3-oxathiolan-5-yl)methyl hydrogen carbonimidate is 205.08 g/mol.
Where can I buy (2-Ethyl-2-methyl-1,3-oxathiolan-5-yl)methyl hydrogen carbonimidate?
You can request a quote for (2-Ethyl-2-methyl-1,3-oxathiolan-5-yl)methyl hydrogen carbonimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Ethyl-2-methyl-1,3-oxathiolan-5-yl)methyl hydrogen carbonimidate?
Yes, KEHONG BIO provides custom synthesis services for (2-Ethyl-2-methyl-1,3-oxathiolan-5-yl)methyl hydrogen carbonimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.