Difolatan epoxide
TL;DR: Difolatan epoxide (CAS 20009-17-0) is a chemical compound with molecular formula C10H9Cl4NO3S and molecular weight 362.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,1,2,2-tetrachloroethylsulfanyl)-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione
Also Known As: Difolatan epoxide, Caulophylline, monohydriodide (8CI), 7-Oxabicyclo(4.1.0)heptane-3,4-dicarboxamide, N-((1,1,2,2-tetrachloroethyl)thio)-, 4-[(1,1,2,2-Tetrachloroethyl)sulfanyl]tetrahydro-1aH-oxireno[f]isoindole-3,5(2H,4H)-dione, 7-Oxabicyclo[4.1.0]heptane-3,4-dicarboximide, N-[(1,1,2,2-tetrachloroethyl)thio]-
| Molecular Formula | C10H9Cl4NO3S |
|---|---|
| Molecular Weight | 362.91 g/mol |
| LogP | 2.7321 |
| Topological Polar Surface Area | 49.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.90573 |
| Heavy Atoms | 19 |
| Complexity | 418.4907 |
Chemical Identifiers
| CAS Number | 20009-17-0 |
|---|---|
| SMILES | C1C2C(CC3C1O3)C(=O)N(C2=O)SC(C(Cl)Cl)(Cl)Cl |
Product Overview
Difolatan epoxide (CAS 20009-17-0), with molecular formula C10H9Cl4NO3S and molecular weight 362.91 g/mol. IUPAC: 4-(1,1,2,2-tetrachloroethylsulfanyl)-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione.
Chemical Property Profile of Difolatan epoxide
Property Insights of Difolatan epoxide
The XLogP value of 2.7321 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Difolatan epoxide. With a topological polar surface area (TPSA) of 49.91 Ų, Difolatan epoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Difolatan epoxide has 0 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 Difolatan epoxide?
The CAS number of Difolatan epoxide is 20009-17-0.
What is the molecular formula of Difolatan epoxide?
The molecular formula of Difolatan epoxide is C10H9Cl4NO3S.
What is the molecular weight of Difolatan epoxide?
The molecular weight of Difolatan epoxide is 362.91 g/mol.
Where can I buy Difolatan epoxide?
You can request a quote for Difolatan epoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Difolatan epoxide?
Yes, KEHONG BIO provides custom synthesis services for Difolatan epoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.