N,N'-(Dithiobis(4,1-phenylene))bis(2-chloroacetamide)
TL;DR: N,N'-(Dithiobis(4,1-phenylene))bis(2-chloroacetamide) (CAS 72040-60-9) is a chemical compound with molecular formula C16H14Cl2N2O2S2 and molecular weight 399.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[4-[[4-[(2-chloroacetyl)amino]phenyl]disulfanyl]phenyl]acetamide
Also Known As: Aminobenzene disulfide analog, N,N'-(Dithiobis(4,1-phenylene))bis(2-chloroacetamide), Disulfide, bis(p-chloro acetamido phenyl), Acetanilide, 4',4'''-dithiobis[2-chloro-, acetamide, n,n'-(dithiodi-4,1-phenylene)bis[2-chloro-
| Molecular Formula | C16H14Cl2N2O2S2 |
|---|---|
| Molecular Weight | 399.99 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 399.98737 |
| Heavy Atoms | 24 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 72040-60-9 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)CCl)SSC2=CC=C(C=C2)NC(=O)CCl |
| InChIKey | KSQWUMVUPBMLKB-UHFFFAOYSA-N |
Product Overview
N,N'-(Dithiobis(4,1-phenylene))bis(2-chloroacetamide) (CAS 72040-60-9), with molecular formula C16H14Cl2N2O2S2 and molecular weight 399.99 g/mol. IUPAC: 2-chloro-N-[4-[[4-[(2-chloroacetyl)amino]phenyl]disulfanyl]phenyl]acetamide.
Chemical Property Profile of N,N'-(Dithiobis(4,1-phenylene))bis(2-chloroacetamide)
Property Insights of N,N'-(Dithiobis(4,1-phenylene))bis(2-chloroacetamide)
The XLogP value of 3.6 indicates that N,N'-(Dithiobis(4,1-phenylene))bis(2-chloroacetamide) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N'-(Dithiobis(4,1-phenylene))bis(2-chloroacetamide). Following Lipinski's Rule of Five, N,N'-(Dithiobis(4,1-phenylene))bis(2-chloroacetamide) has 2 hydrogen bond donor(s) and 4 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 N,N'-(Dithiobis(4,1-phenylene))bis(2-chloroacetamide)?
The CAS number of N,N'-(Dithiobis(4,1-phenylene))bis(2-chloroacetamide) is 72040-60-9.
What is the molecular formula of N,N'-(Dithiobis(4,1-phenylene))bis(2-chloroacetamide)?
The molecular formula of N,N'-(Dithiobis(4,1-phenylene))bis(2-chloroacetamide) is C16H14Cl2N2O2S2.
What is the molecular weight of N,N'-(Dithiobis(4,1-phenylene))bis(2-chloroacetamide)?
The molecular weight of N,N'-(Dithiobis(4,1-phenylene))bis(2-chloroacetamide) is 399.99 g/mol.
Where can I buy N,N'-(Dithiobis(4,1-phenylene))bis(2-chloroacetamide)?
You can request a quote for N,N'-(Dithiobis(4,1-phenylene))bis(2-chloroacetamide) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N'-(Dithiobis(4,1-phenylene))bis(2-chloroacetamide)?
Yes, KEHONG BIO provides custom synthesis services for N,N'-(Dithiobis(4,1-phenylene))bis(2-chloroacetamide) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.