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[(2-Acetamidoethyl)sulfanyl](benzamido)acetic acid
TL;DR: [(2-Acetamidoethyl)sulfanyl](benzamido)acetic acid (CAS 66381-04-2) is a chemical compound with molecular formula C13H16N2O4S and molecular weight 296.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-acetamidoethylsulfanyl)-2-benzamidoacetic acid
Also Known As: [(2-Acetamidoethyl)sulfanyl](benzamido)acetic acid|2-(2-acetamidoethylsulfanyl)-2-benzamidoacetic acid
| Molecular Formula | C13H16N2O4S |
|---|---|
| Molecular Weight | 296.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 296.08307 |
| Heavy Atoms | 20 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 66381-04-2 |
|---|---|
| SMILES | CC(=O)NCCSC(C(=O)O)NC(=O)C1=CC=CC=C1 |
| InChIKey | NRMSPNBZKGARDW-UHFFFAOYSA-N |
Product Overview
[(2-Acetamidoethyl)sulfanyl](benzamido)acetic acid (CAS 66381-04-2), with molecular formula C13H16N2O4S and molecular weight 296.08 g/mol. IUPAC: 2-(2-acetamidoethylsulfanyl)-2-benzamidoacetic acid.
Chemical Property Profile of [(2-Acetamidoethyl)sulfanyl](benzamido)acetic acid
Property Insights of [(2-Acetamidoethyl)sulfanyl](benzamido)acetic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(2-Acetamidoethyl)sulfanyl](benzamido)acetic acid. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [(2-Acetamidoethyl)sulfanyl](benzamido)acetic acid. Following Lipinski's Rule of Five, [(2-Acetamidoethyl)sulfanyl](benzamido)acetic acid has 3 hydrogen bond donor(s) and 5 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-Acetamidoethyl)sulfanyl](benzamido)acetic acid?
The CAS number of [(2-Acetamidoethyl)sulfanyl](benzamido)acetic acid is 66381-04-2.
What is the molecular formula of [(2-Acetamidoethyl)sulfanyl](benzamido)acetic acid?
The molecular formula of [(2-Acetamidoethyl)sulfanyl](benzamido)acetic acid is C13H16N2O4S.
What is the molecular weight of [(2-Acetamidoethyl)sulfanyl](benzamido)acetic acid?
The molecular weight of [(2-Acetamidoethyl)sulfanyl](benzamido)acetic acid is 296.08 g/mol.
Where can I buy [(2-Acetamidoethyl)sulfanyl](benzamido)acetic acid?
You can request a quote for [(2-Acetamidoethyl)sulfanyl](benzamido)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-Acetamidoethyl)sulfanyl](benzamido)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(2-Acetamidoethyl)sulfanyl](benzamido)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.