2,3-Dimercaptopropyl benzeneacetate
TL;DR: 2,3-Dimercaptopropyl benzeneacetate (CAS 104097-39-4) is a chemical compound with molecular formula C11H14O2S2 and molecular weight 242.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-bis(sulfanyl)propyl 2-phenylacetate
Also Known As: Disulfanyl deriv., Phenylacetic acid 2,3-dimercaptopropyl ester, 2,3-bis(sulfanyl)propyl 2-phenylacetate, 2,3-disulfanylpropyl phenylacetate, 2,3-Dimercaptopropyl benzeneacetate
| Molecular Formula | C11H14O2S2 |
|---|---|
| Molecular Weight | 242.04 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 28.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 242.04352 |
| Heavy Atoms | 15 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 104097-39-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)OCC(CS)S |
| InChIKey | QTLYUIWSFRLABZ-UHFFFAOYSA-N |
Product Overview
2,3-Dimercaptopropyl benzeneacetate (CAS 104097-39-4), with molecular formula C11H14O2S2 and molecular weight 242.04 g/mol. IUPAC: 2,3-bis(sulfanyl)propyl 2-phenylacetate.
Chemical Property Profile of 2,3-Dimercaptopropyl benzeneacetate
Property Insights of 2,3-Dimercaptopropyl benzeneacetate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dimercaptopropyl benzeneacetate. With a topological polar surface area (TPSA) of 28.3 Ų, 2,3-Dimercaptopropyl benzeneacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dimercaptopropyl benzeneacetate 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 2,3-Dimercaptopropyl benzeneacetate?
The CAS number of 2,3-Dimercaptopropyl benzeneacetate is 104097-39-4.
What is the molecular formula of 2,3-Dimercaptopropyl benzeneacetate?
The molecular formula of 2,3-Dimercaptopropyl benzeneacetate is C11H14O2S2.
What is the molecular weight of 2,3-Dimercaptopropyl benzeneacetate?
The molecular weight of 2,3-Dimercaptopropyl benzeneacetate is 242.04 g/mol.
Where can I buy 2,3-Dimercaptopropyl benzeneacetate?
You can request a quote for 2,3-Dimercaptopropyl benzeneacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dimercaptopropyl benzeneacetate?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dimercaptopropyl benzeneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.