Dimethyl 2,2'-dithiobisbenzoate
TL;DR: Dimethyl 2,2'-dithiobisbenzoate (CAS 5459-63-2) is a chemical compound with molecular formula C16H14O4S2 and molecular weight 334.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-methoxycarbonylphenyl)disulfanyl]benzoate
Also Known As: Dimethyl 2,2'-dithiobisbenzoate, Dimethyl 2,2'-disulfanediyldibenzoate, Dimethyl 2,2'-dithiodibenzoate, Benzoate disulfide analog, Dimethyl-2,2'-Dithiosalicylate
| Molecular Formula | C16H14O4S2 |
|---|---|
| Molecular Weight | 334.03 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 334.03336 |
| Heavy Atoms | 22 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 5459-63-2 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)OC |
| InChIKey | NECMWXVJIUGCSW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 2,2'-dithiobisbenzoate (CAS 5459-63-2), with molecular formula C16H14O4S2 and molecular weight 334.03 g/mol. IUPAC: methyl 2-[(2-methoxycarbonylphenyl)disulfanyl]benzoate.
Chemical Property Profile of Dimethyl 2,2'-dithiobisbenzoate
Property Insights of Dimethyl 2,2'-dithiobisbenzoate
The XLogP value of 3.7 indicates that Dimethyl 2,2'-dithiobisbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2,2'-dithiobisbenzoate. Following Lipinski's Rule of Five, Dimethyl 2,2'-dithiobisbenzoate 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 Dimethyl 2,2'-dithiobisbenzoate?
The CAS number of Dimethyl 2,2'-dithiobisbenzoate is 5459-63-2.
What is the molecular formula of Dimethyl 2,2'-dithiobisbenzoate?
The molecular formula of Dimethyl 2,2'-dithiobisbenzoate is C16H14O4S2.
What is the molecular weight of Dimethyl 2,2'-dithiobisbenzoate?
The molecular weight of Dimethyl 2,2'-dithiobisbenzoate is 334.03 g/mol.
Where can I buy Dimethyl 2,2'-dithiobisbenzoate?
You can request a quote for Dimethyl 2,2'-dithiobisbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2,2'-dithiobisbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2,2'-dithiobisbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.