2,2'-(Dithiobis(4,1-phenylene))diacetic acid
TL;DR: 2,2'-(Dithiobis(4,1-phenylene))diacetic acid (CAS 5757-82-4) 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.
2-[4-[[4-(carboxymethyl)phenyl]disulfanyl]phenyl]acetic acid
Also Known As: 4,4'-Dithiobisphenylacetic Acid, 2,1-diyl)diacetic acid, Benzoate disulfide analog, 2,2'-(Dithiobis(4,1-phenylene))diacetic acid, 4,4'-Dithiobis(benzeneacetic acid)
| Molecular Formula | C16H14O4S2 |
|---|---|
| Molecular Weight | 334.03 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 334.03336 |
| Heavy Atoms | 22 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 5757-82-4 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(=O)O)SSC2=CC=C(C=C2)CC(=O)O |
| InChIKey | IMLDPTDOTIPGGL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2'-(Dithiobis(4,1-phenylene))diacetic acid (CAS 5757-82-4), with molecular formula C16H14O4S2 and molecular weight 334.03 g/mol. IUPAC: 2-[4-[[4-(carboxymethyl)phenyl]disulfanyl]phenyl]acetic acid.
Chemical Property Profile of 2,2'-(Dithiobis(4,1-phenylene))diacetic acid
Property Insights of 2,2'-(Dithiobis(4,1-phenylene))diacetic acid
The XLogP value of 3.0 indicates that 2,2'-(Dithiobis(4,1-phenylene))diacetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2'-(Dithiobis(4,1-phenylene))diacetic acid. Following Lipinski's Rule of Five, 2,2'-(Dithiobis(4,1-phenylene))diacetic acid has 2 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 2,2'-(Dithiobis(4,1-phenylene))diacetic acid?
The CAS number of 2,2'-(Dithiobis(4,1-phenylene))diacetic acid is 5757-82-4.
What is the molecular formula of 2,2'-(Dithiobis(4,1-phenylene))diacetic acid?
The molecular formula of 2,2'-(Dithiobis(4,1-phenylene))diacetic acid is C16H14O4S2.
What is the molecular weight of 2,2'-(Dithiobis(4,1-phenylene))diacetic acid?
The molecular weight of 2,2'-(Dithiobis(4,1-phenylene))diacetic acid is 334.03 g/mol.
Where can I buy 2,2'-(Dithiobis(4,1-phenylene))diacetic acid?
You can request a quote for 2,2'-(Dithiobis(4,1-phenylene))diacetic acid 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(4,1-phenylene))diacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-(Dithiobis(4,1-phenylene))diacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.