Dimethyl 4,4'-disulfanediyldibenzoate
TL;DR: Dimethyl 4,4'-disulfanediyldibenzoate (CAS 35190-68-2) 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 4-[(4-methoxycarbonylphenyl)disulfanyl]benzoate
Also Known As: Dimethyl 4,4'-disulfanediyldibenzoate, (SPhCO2Me)2, bis(p-(mewthoxycarbonyl)phenyl)disulfide, BIS(4-CARBOMETHOXYPHENYL) DISULFIDE, 4,4'-DITHIOBISBENZOIC ACID DIMETHYL ESTER
| Molecular Formula | C16H14O4S2 |
|---|---|
| Molecular Weight | 334.03 g/mol |
| LogP | 4.0592 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 334.03336 |
| Heavy Atoms | 22 |
| Complexity | 591.35095 |
Chemical Identifiers
| CAS Number | 35190-68-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)SSC2=CC=C(C=C2)C(=O)OC |
Product Overview
Dimethyl 4,4'-disulfanediyldibenzoate (CAS 35190-68-2), with molecular formula C16H14O4S2 and molecular weight 334.03 g/mol. IUPAC: methyl 4-[(4-methoxycarbonylphenyl)disulfanyl]benzoate.
Chemical Property Profile of Dimethyl 4,4'-disulfanediyldibenzoate
Property Insights of Dimethyl 4,4'-disulfanediyldibenzoate
The XLogP value of 4.0592 indicates that Dimethyl 4,4'-disulfanediyldibenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 4,4'-disulfanediyldibenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 4,4'-disulfanediyldibenzoate 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 4,4'-disulfanediyldibenzoate?
The CAS number of Dimethyl 4,4'-disulfanediyldibenzoate is 35190-68-2.
What is the molecular formula of Dimethyl 4,4'-disulfanediyldibenzoate?
The molecular formula of Dimethyl 4,4'-disulfanediyldibenzoate is C16H14O4S2.
What is the molecular weight of Dimethyl 4,4'-disulfanediyldibenzoate?
The molecular weight of Dimethyl 4,4'-disulfanediyldibenzoate is 334.03 g/mol.
Where can I buy Dimethyl 4,4'-disulfanediyldibenzoate?
You can request a quote for Dimethyl 4,4'-disulfanediyldibenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 4,4'-disulfanediyldibenzoate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 4,4'-disulfanediyldibenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.