Methyl ((4-(hydroxy(oxido)amino)benzyl)dithio)acetate
TL;DR: Methyl ((4-(hydroxy(oxido)amino)benzyl)dithio)acetate (CAS 94215-35-7) is a chemical compound with molecular formula C10H11NO4S2 and molecular weight 273.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-nitrophenyl)methyldisulfanyl]acetate
Also Known As: Methyl ((4-(hydroxy(oxido)amino)benzyl)dithio)acetate, methyl 2-[(4-nitrophenyl)methyldisulfanyl]acetate, NCI60_003812, Methyl {[(4-nitrophenyl)methyl]disulfanyl}acetate, S-(4-Nitro-benzylmercapto)-thioglykolsaeure-methylester
| Molecular Formula | C10H11NO4S2 |
|---|---|
| Molecular Weight | 273.01 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 273.01294 |
| Heavy Atoms | 17 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 94215-35-7 |
|---|---|
| SMILES | COC(=O)CSSCC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | QXKKNZRCMRBLPV-UHFFFAOYSA-N |
Product Overview
Methyl ((4-(hydroxy(oxido)amino)benzyl)dithio)acetate (CAS 94215-35-7), with molecular formula C10H11NO4S2 and molecular weight 273.01 g/mol. IUPAC: methyl 2-[(4-nitrophenyl)methyldisulfanyl]acetate.
Chemical Property Profile of Methyl ((4-(hydroxy(oxido)amino)benzyl)dithio)acetate
Property Insights of Methyl ((4-(hydroxy(oxido)amino)benzyl)dithio)acetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl ((4-(hydroxy(oxido)amino)benzyl)dithio)acetate. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl ((4-(hydroxy(oxido)amino)benzyl)dithio)acetate. Following Lipinski's Rule of Five, Methyl ((4-(hydroxy(oxido)amino)benzyl)dithio)acetate has 0 hydrogen bond donor(s) and 6 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 Methyl ((4-(hydroxy(oxido)amino)benzyl)dithio)acetate?
The CAS number of Methyl ((4-(hydroxy(oxido)amino)benzyl)dithio)acetate is 94215-35-7.
What is the molecular formula of Methyl ((4-(hydroxy(oxido)amino)benzyl)dithio)acetate?
The molecular formula of Methyl ((4-(hydroxy(oxido)amino)benzyl)dithio)acetate is C10H11NO4S2.
What is the molecular weight of Methyl ((4-(hydroxy(oxido)amino)benzyl)dithio)acetate?
The molecular weight of Methyl ((4-(hydroxy(oxido)amino)benzyl)dithio)acetate is 273.01 g/mol.
Where can I buy Methyl ((4-(hydroxy(oxido)amino)benzyl)dithio)acetate?
You can request a quote for Methyl ((4-(hydroxy(oxido)amino)benzyl)dithio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl ((4-(hydroxy(oxido)amino)benzyl)dithio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl ((4-(hydroxy(oxido)amino)benzyl)dithio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.