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Acetic acid, [[(benzoylamino)acetyl]thio]-
TL;DR: Acetic acid, [[(benzoylamino)acetyl]thio]- (CAS 2979-64-8) is a chemical compound with molecular formula C11H11NO4S and molecular weight 253.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-benzamidoacetyl)sulfanylacetic acid
Also Known As: hippuroylmercapto-acetic acid, 2-(2-benzamidoacetyl)sulfanylacetic Acid, Acetic acid, [[(benzoylamino)acetyl]thio]-, [(N-Benzoylglycyl)sulfanyl]acetic acid, 2-[2-(Benzoylamino)acetylthio]acetic acid
| Molecular Formula | C11H11NO4S |
|---|---|
| Molecular Weight | 253.04 g/mol |
| LogP | 0.7608 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 253.04088 |
| Heavy Atoms | 17 |
| Complexity | 418.7394 |
Chemical Identifiers
| CAS Number | 2979-64-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NCC(=O)SCC(=O)O |
Product Overview
Acetic acid, [[(benzoylamino)acetyl]thio]- (CAS 2979-64-8), with molecular formula C11H11NO4S and molecular weight 253.04 g/mol. IUPAC: 2-(2-benzamidoacetyl)sulfanylacetic acid.
Chemical Property Profile of Acetic acid, [[(benzoylamino)acetyl]thio]-
Property Insights of Acetic acid, [[(benzoylamino)acetyl]thio]-
The XLogP value of 0.7608 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, [[(benzoylamino)acetyl]thio]-. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, [[(benzoylamino)acetyl]thio]-. Following Lipinski's Rule of Five, Acetic acid, [[(benzoylamino)acetyl]thio]- has 2 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 Acetic acid, [[(benzoylamino)acetyl]thio]-?
The CAS number of Acetic acid, [[(benzoylamino)acetyl]thio]- is 2979-64-8.
What is the molecular formula of Acetic acid, [[(benzoylamino)acetyl]thio]-?
The molecular formula of Acetic acid, [[(benzoylamino)acetyl]thio]- is C11H11NO4S.
What is the molecular weight of Acetic acid, [[(benzoylamino)acetyl]thio]-?
The molecular weight of Acetic acid, [[(benzoylamino)acetyl]thio]- is 253.04 g/mol.
Where can I buy Acetic acid, [[(benzoylamino)acetyl]thio]-?
You can request a quote for Acetic acid, [[(benzoylamino)acetyl]thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, [[(benzoylamino)acetyl]thio]-?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, [[(benzoylamino)acetyl]thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.