2,2'-Dithiobis(N-(4-ethylbenzoate)benzamide)
TL;DR: 2,2'-Dithiobis(N-(4-ethylbenzoate)benzamide) (CAS 90520-54-0) is a chemical compound with molecular formula C32H28N2O6S2 and molecular weight 600.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[[2-[(4-ethoxycarbonylphenyl)carbamoyl]phenyl]disulfanyl]benzoyl]amino]benzoate
Also Known As: Benzamide der., 2,2'-Dithiobis(N-(4-ethylbenzoate)benzamide), 2,2'-Dithiobis[N-(4-ethylbenzoate)benzamide], Diethyl 4,4'-(dithiobis(benzene-2,1-diylcarbonylimino))dibenzoate, ethyl 4-[[2-[[2-[(4-ethoxycarbonylphenyl)carbamoyl]phenyl]disulfanyl]benzoyl]amino]benzoate
| Molecular Formula | C32H28N2O6S2 |
|---|---|
| Molecular Weight | 600.14 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 600.13885 |
| Heavy Atoms | 42 |
| Complexity | 831.0 |
Chemical Identifiers
| CAS Number | 90520-54-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SSC3=CC=CC=C3C(=O)NC4=CC=C(C=C4)C(=O)OCC |
| InChIKey | YATYILBUKWQZJR-UHFFFAOYSA-N |
Product Overview
2,2'-Dithiobis(N-(4-ethylbenzoate)benzamide) (CAS 90520-54-0), with molecular formula C32H28N2O6S2 and molecular weight 600.14 g/mol. IUPAC: ethyl 4-[[2-[[2-[(4-ethoxycarbonylphenyl)carbamoyl]phenyl]disulfanyl]benzoyl]amino]benzoate.
Chemical Property Profile of 2,2'-Dithiobis(N-(4-ethylbenzoate)benzamide)
Property Insights of 2,2'-Dithiobis(N-(4-ethylbenzoate)benzamide)
The XLogP value of 6.1 indicates that 2,2'-Dithiobis(N-(4-ethylbenzoate)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-(4-ethylbenzoate)benzamide) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,2'-Dithiobis(N-(4-ethylbenzoate)benzamide) has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2'-Dithiobis(N-(4-ethylbenzoate)benzamide)?
The CAS number of 2,2'-Dithiobis(N-(4-ethylbenzoate)benzamide) is 90520-54-0.
What is the molecular formula of 2,2'-Dithiobis(N-(4-ethylbenzoate)benzamide)?
The molecular formula of 2,2'-Dithiobis(N-(4-ethylbenzoate)benzamide) is C32H28N2O6S2.
What is the molecular weight of 2,2'-Dithiobis(N-(4-ethylbenzoate)benzamide)?
The molecular weight of 2,2'-Dithiobis(N-(4-ethylbenzoate)benzamide) is 600.14 g/mol.
Where can I buy 2,2'-Dithiobis(N-(4-ethylbenzoate)benzamide)?
You can request a quote for 2,2'-Dithiobis(N-(4-ethylbenzoate)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-(4-ethylbenzoate)benzamide)?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-Dithiobis(N-(4-ethylbenzoate)benzamide) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.