2,3-Bis(sulfanyl)propyl 4-methoxybenzoate
TL;DR: 2,3-Bis(sulfanyl)propyl 4-methoxybenzoate (CAS 100059-16-3) is a chemical compound with molecular formula C11H14O3S2 and molecular weight 258.03842 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-bis(sulfanyl)propyl 4-methoxybenzoate
Also Known As: Disulfanyl deriv., BRL 651, 2,3-bis(sulfanyl)propyl 4-methoxybenzoate, 2,3-Dimercapto-1-propanol 1-p-anisate, 2,3-Disulfanylpropyl 4-methoxybenzoate
Technical Specifications
| Molecular Formula | C11H14O3S2 |
| Molecular Weight | 258.03842 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 37.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 258.03842 Da |
| Heavy Atoms | 16 |
| Complexity | 215.0 |
| SMILES | COC1=CC=C(C=C1)C(=O)OCC(CS)S |
| InChIKey | VBUREHHXKCMQJR-UHFFFAOYSA-N |
Chemical Property Profile of 2,3-Bis(sulfanyl)propyl 4-methoxybenzoate
Property Insights of 2,3-Bis(sulfanyl)propyl 4-methoxybenzoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Bis(sulfanyl)propyl 4-methoxybenzoate. With a topological polar surface area (TPSA) of 37.5 Ų, 2,3-Bis(sulfanyl)propyl 4-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Bis(sulfanyl)propyl 4-methoxybenzoate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,3-Bis(sulfanyl)propyl 4-methoxybenzoate?
The CAS number of 2,3-Bis(sulfanyl)propyl 4-methoxybenzoate is 100059-16-3.
What is the molecular formula of 2,3-Bis(sulfanyl)propyl 4-methoxybenzoate?
The molecular formula of 2,3-Bis(sulfanyl)propyl 4-methoxybenzoate is C11H14O3S2.
What is the molecular weight of 2,3-Bis(sulfanyl)propyl 4-methoxybenzoate?
The molecular weight of 2,3-Bis(sulfanyl)propyl 4-methoxybenzoate is 258.03842 g/mol.
Where can I buy 2,3-Bis(sulfanyl)propyl 4-methoxybenzoate?
You can request a quote for 2,3-Bis(sulfanyl)propyl 4-methoxybenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,3-Bis(sulfanyl)propyl 4-methoxybenzoate?
Yes, CoreyChem provides custom synthesis services for 2,3-Bis(sulfanyl)propyl 4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.