Benzoic acid, o-((2-acetamido-2-carboxy-1,1-dimethylethyl)dithio)-, DL-
TL;DR: Benzoic acid, o-((2-acetamido-2-carboxy-1,1-dimethylethyl)dithio)-, DL- (CAS 26885-64-3) is a chemical compound with molecular formula C14H17NO5S2 and molecular weight 343.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(1R)-1-acetamido-1-carboxy-2-methylpropan-2-yl]disulfanyl]benzoic acid
Also Known As: Benzoic acid, o-((2-acetamido-2-carboxy-1,1-dimethylethyl)dithio)-, DL-, DL-o-((2-Acetamido-2-carboxy-1,1-dimethylethyl)dithio)benzoic acid, 2-{[(1r)-1-(acetylamino)-1-carboxy-2-methylpropan-2-yl]disulfanyl}benzoic acid, Benzoic acid,2-[[2-(acetylamino)-2-carboxy-1,1-dimethylethyl]dithio]-, Benzoic acid,o-((2-acetamido-2-carboxy-1,1-dimethylethyl)dithio)-,DL
| Molecular Formula | C14H17NO5S2 |
|---|---|
| Molecular Weight | 343.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 343.0548 |
| Heavy Atoms | 22 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 26885-64-3 |
|---|---|
| SMILES | CC(=O)N[C@H](C(=O)O)C(C)(C)SSC1=CC=CC=C1C(=O)O |
| InChIKey | HGUGGLQXBRPLNG-LLVKDONJSA-N |
Product Overview
Benzoic acid, o-((2-acetamido-2-carboxy-1,1-dimethylethyl)dithio)-, DL- (CAS 26885-64-3), with molecular formula C14H17NO5S2 and molecular weight 343.05 g/mol. IUPAC: 2-[[(1R)-1-acetamido-1-carboxy-2-methylpropan-2-yl]disulfanyl]benzoic acid.
Chemical Property Profile of Benzoic acid, o-((2-acetamido-2-carboxy-1,1-dimethylethyl)dithio)-, DL-
Property Insights of Benzoic acid, o-((2-acetamido-2-carboxy-1,1-dimethylethyl)dithio)-, DL-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, o-((2-acetamido-2-carboxy-1,1-dimethylethyl)dithio)-, DL-. The TPSA of 154.0 Ų indicates high polarity, suggesting Benzoic acid, o-((2-acetamido-2-carboxy-1,1-dimethylethyl)dithio)-, DL- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoic acid, o-((2-acetamido-2-carboxy-1,1-dimethylethyl)dithio)-, DL- has 3 hydrogen bond donor(s) and 7 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 Benzoic acid, o-((2-acetamido-2-carboxy-1,1-dimethylethyl)dithio)-, DL-?
The CAS number of Benzoic acid, o-((2-acetamido-2-carboxy-1,1-dimethylethyl)dithio)-, DL- is 26885-64-3.
What is the molecular formula of Benzoic acid, o-((2-acetamido-2-carboxy-1,1-dimethylethyl)dithio)-, DL-?
The molecular formula of Benzoic acid, o-((2-acetamido-2-carboxy-1,1-dimethylethyl)dithio)-, DL- is C14H17NO5S2.
What is the molecular weight of Benzoic acid, o-((2-acetamido-2-carboxy-1,1-dimethylethyl)dithio)-, DL-?
The molecular weight of Benzoic acid, o-((2-acetamido-2-carboxy-1,1-dimethylethyl)dithio)-, DL- is 343.05 g/mol.
Where can I buy Benzoic acid, o-((2-acetamido-2-carboxy-1,1-dimethylethyl)dithio)-, DL-?
You can request a quote for Benzoic acid, o-((2-acetamido-2-carboxy-1,1-dimethylethyl)dithio)-, DL- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, o-((2-acetamido-2-carboxy-1,1-dimethylethyl)dithio)-, DL-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, o-((2-acetamido-2-carboxy-1,1-dimethylethyl)dithio)-, DL- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.