2,2'-Dithiobis(N-(ethoxycarbonyl)methyl)benzamide)
TL;DR: 2,2'-Dithiobis(N-(ethoxycarbonyl)methyl)benzamide) (CAS 98051-90-2) is a chemical compound with molecular formula C22H24N2O6S2 and molecular weight 476.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[[2-[(2-ethoxy-2-oxoethyl)carbamoyl]phenyl]disulfanyl]benzoyl]amino]acetate
Also Known As: Benzamide der., 2,2'-Dithiobis(N-(ethoxycarbonyl)methyl)benzamide), 2,2'-Dithiobis[N-(ethoxycarbonyl)methyl]benzamide], Diethyl 2,2'-[disulfanediylbis(2,1-phenylenecarbonylazanediyl)]diacetate, ethyl 2-[[2-[[2-[(2-ethoxy-2-oxo-ethyl)carbamoyl]phenyl]disulfanyl]benzoyl]amino]acetate
| Molecular Formula | C22H24N2O6S2 |
|---|---|
| Molecular Weight | 476.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 476.10757 |
| Heavy Atoms | 32 |
| Complexity | 594.0 |
Chemical Identifiers
| CAS Number | 98051-90-2 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)NCC(=O)OCC |
| InChIKey | NJKSDRWYJVZSBD-UHFFFAOYSA-N |
Product Overview
2,2'-Dithiobis(N-(ethoxycarbonyl)methyl)benzamide) (CAS 98051-90-2), with molecular formula C22H24N2O6S2 and molecular weight 476.11 g/mol. IUPAC: ethyl 2-[[2-[[2-[(2-ethoxy-2-oxoethyl)carbamoyl]phenyl]disulfanyl]benzoyl]amino]acetate.
Chemical Property Profile of 2,2'-Dithiobis(N-(ethoxycarbonyl)methyl)benzamide)
Property Insights of 2,2'-Dithiobis(N-(ethoxycarbonyl)methyl)benzamide)
The XLogP value of 3.2 indicates that 2,2'-Dithiobis(N-(ethoxycarbonyl)methyl)benzamide) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.0 Ų indicates high polarity, suggesting 2,2'-Dithiobis(N-(ethoxycarbonyl)methyl)benzamide) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,2'-Dithiobis(N-(ethoxycarbonyl)methyl)benzamide) has 2 hydrogen bond donor(s) and 8 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'-Dithiobis(N-(ethoxycarbonyl)methyl)benzamide)?
The CAS number of 2,2'-Dithiobis(N-(ethoxycarbonyl)methyl)benzamide) is 98051-90-2.
What is the molecular formula of 2,2'-Dithiobis(N-(ethoxycarbonyl)methyl)benzamide)?
The molecular formula of 2,2'-Dithiobis(N-(ethoxycarbonyl)methyl)benzamide) is C22H24N2O6S2.
What is the molecular weight of 2,2'-Dithiobis(N-(ethoxycarbonyl)methyl)benzamide)?
The molecular weight of 2,2'-Dithiobis(N-(ethoxycarbonyl)methyl)benzamide) is 476.11 g/mol.
Where can I buy 2,2'-Dithiobis(N-(ethoxycarbonyl)methyl)benzamide)?
You can request a quote for 2,2'-Dithiobis(N-(ethoxycarbonyl)methyl)benzamide) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-Dithiobis(N-(ethoxycarbonyl)methyl)benzamide)?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-Dithiobis(N-(ethoxycarbonyl)methyl)benzamide) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.