![2-{[2-(Diethylamino)-2-oxoethyl]sulfanyl}benzoic acid structure](/static/products/355/355809-21-1.png)
2-{[2-(Diethylamino)-2-oxoethyl]sulfanyl}benzoic acid
TL;DR: 2-{[2-(Diethylamino)-2-oxoethyl]sulfanyl}benzoic acid (CAS 355809-21-1) is a chemical compound with molecular formula C13H17NO3S and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(diethylamino)-2-oxoethyl]sulfanylbenzoic acid
Also Known As: 2-(diethylcarbamoylmethylsulfanyl)benzoic Acid, 2-[(N,N-diethylcarbamoyl)methylthio]benzoic acid, 2-{[2-(diethylamino)-2-oxoethyl]sulfanyl}benzoic acid, 2-[2-(diethylamino)-2-oxoethyl]sulfanylbenzoic acid, 2-{[2-(DIETHYLAMINO)-2-OXOETHYL]THIO}BENZOIC ACID
| Molecular Formula | C13H17NO3S |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 2.3453 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 267.09293 |
| Heavy Atoms | 18 |
| Complexity | 429.99945 |
Chemical Identifiers
| CAS Number | 355809-21-1 |
|---|---|
| SMILES | CCN(CC)C(=O)CSC1=CC=CC=C1C(=O)O |
Product Overview
2-{[2-(Diethylamino)-2-oxoethyl]sulfanyl}benzoic acid (CAS 355809-21-1), with molecular formula C13H17NO3S and molecular weight 267.09 g/mol. IUPAC: 2-[2-(diethylamino)-2-oxoethyl]sulfanylbenzoic acid.
Chemical Property Profile of 2-{[2-(Diethylamino)-2-oxoethyl]sulfanyl}benzoic acid
Property Insights of 2-{[2-(Diethylamino)-2-oxoethyl]sulfanyl}benzoic acid
The XLogP value of 2.3453 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[2-(Diethylamino)-2-oxoethyl]sulfanyl}benzoic acid. With a topological polar surface area (TPSA) of 57.61 Ų, 2-{[2-(Diethylamino)-2-oxoethyl]sulfanyl}benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[2-(Diethylamino)-2-oxoethyl]sulfanyl}benzoic 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-{[2-(Diethylamino)-2-oxoethyl]sulfanyl}benzoic acid?
The CAS number of 2-{[2-(Diethylamino)-2-oxoethyl]sulfanyl}benzoic acid is 355809-21-1.
What is the molecular formula of 2-{[2-(Diethylamino)-2-oxoethyl]sulfanyl}benzoic acid?
The molecular formula of 2-{[2-(Diethylamino)-2-oxoethyl]sulfanyl}benzoic acid is C13H17NO3S.
What is the molecular weight of 2-{[2-(Diethylamino)-2-oxoethyl]sulfanyl}benzoic acid?
The molecular weight of 2-{[2-(Diethylamino)-2-oxoethyl]sulfanyl}benzoic acid is 267.09 g/mol.
Where can I buy 2-{[2-(Diethylamino)-2-oxoethyl]sulfanyl}benzoic acid?
You can request a quote for 2-{[2-(Diethylamino)-2-oxoethyl]sulfanyl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[2-(Diethylamino)-2-oxoethyl]sulfanyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-(Diethylamino)-2-oxoethyl]sulfanyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.