2-(((Diethylcarbamoyl)methyl)sulfanyl)acetic acid
TL;DR: 2-(((Diethylcarbamoyl)methyl)sulfanyl)acetic acid (CAS 790232-27-8) 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-[2-(diethylamino)-2-oxoethyl]sulfanylacetic acid
Also Known As: 2-{[(diethylcarbamoyl)methyl]sulfanyl}acetic acid, {[2-(diethylamino)-2-oxoethyl]thio}acetic acid, 2-[2-(diethylamino)-2-oxoethyl]sulfanylacetic acid, 2-(diethylcarbamoylmethylsulfanyl)acetic Acid, [2-Oxo-2-(diethylamino)ethylthio]acetic acid
| Molecular Formula | C8H15NO3S |
|---|---|
| Molecular Weight | 205.08 g/mol |
| LogP | 0.6726 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 205.07727 |
| Heavy Atoms | 13 |
| Complexity | 180.22795 |
Chemical Identifiers
| CAS Number | 790232-27-8 |
|---|---|
| SMILES | CCN(CC)C(=O)CSCC(=O)O |
Product Overview
2-(((Diethylcarbamoyl)methyl)sulfanyl)acetic acid (CAS 790232-27-8), with molecular formula C8H15NO3S and molecular weight 205.08 g/mol. IUPAC: 2-[2-(diethylamino)-2-oxoethyl]sulfanylacetic acid.
Chemical Property Profile of 2-(((Diethylcarbamoyl)methyl)sulfanyl)acetic acid
Property Insights of 2-(((Diethylcarbamoyl)methyl)sulfanyl)acetic acid
The XLogP value of 0.6726 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(((Diethylcarbamoyl)methyl)sulfanyl)acetic acid. With a topological polar surface area (TPSA) of 57.61 Ų, 2-(((Diethylcarbamoyl)methyl)sulfanyl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(((Diethylcarbamoyl)methyl)sulfanyl)acetic acid has 1 hydrogen bond donor(s) and 3 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-(((Diethylcarbamoyl)methyl)sulfanyl)acetic acid?
The CAS number of 2-(((Diethylcarbamoyl)methyl)sulfanyl)acetic acid is 790232-27-8.
What is the molecular formula of 2-(((Diethylcarbamoyl)methyl)sulfanyl)acetic acid?
The molecular formula of 2-(((Diethylcarbamoyl)methyl)sulfanyl)acetic acid is C8H15NO3S.
What is the molecular weight of 2-(((Diethylcarbamoyl)methyl)sulfanyl)acetic acid?
The molecular weight of 2-(((Diethylcarbamoyl)methyl)sulfanyl)acetic acid is 205.08 g/mol.
Where can I buy 2-(((Diethylcarbamoyl)methyl)sulfanyl)acetic acid?
You can request a quote for 2-(((Diethylcarbamoyl)methyl)sulfanyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(((Diethylcarbamoyl)methyl)sulfanyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(((Diethylcarbamoyl)methyl)sulfanyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.