Oxyprothepin 5,8-disulfide
TL;DR: Oxyprothepin 5,8-disulfide (CAS 41931-98-0) is a chemical compound with molecular formula C22H28N2O3S2 and molecular weight 432.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(3-methylsulfinyl-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol
Also Known As: Oxyprothepin 5,8-disulfide, Dosmalfate, Oxyprothepin5,8-disulfide, 3-[4-(3-methylsulfinyl-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol, 4-(10,11-Dihydro-8-(methylsulfinyl)dibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol S-oxide
| Molecular Formula | C22H28N2O3S2 |
|---|---|
| Molecular Weight | 432.15 g/mol |
| LogP | 2.1879 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.15414 |
| Heavy Atoms | 29 |
| Complexity | 926.02344 |
Chemical Identifiers
| CAS Number | 41931-98-0 |
|---|---|
| SMILES | CS(=O)C1=CC2=C(C=C1)S(=O)C3=CC=CC=C3CC2N4CCN(CC4)CCCO |
Product Overview
Oxyprothepin 5,8-disulfide (CAS 41931-98-0), with molecular formula C22H28N2O3S2 and molecular weight 432.15 g/mol. IUPAC: 3-[4-(3-methylsulfinyl-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol.
Chemical Property Profile of Oxyprothepin 5,8-disulfide
Property Insights of Oxyprothepin 5,8-disulfide
The XLogP value of 2.1879 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxyprothepin 5,8-disulfide. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxyprothepin 5,8-disulfide. Following Lipinski's Rule of Five, Oxyprothepin 5,8-disulfide has 1 hydrogen bond donor(s) and 5 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 Oxyprothepin 5,8-disulfide?
The CAS number of Oxyprothepin 5,8-disulfide is 41931-98-0.
What is the molecular formula of Oxyprothepin 5,8-disulfide?
The molecular formula of Oxyprothepin 5,8-disulfide is C22H28N2O3S2.
What is the molecular weight of Oxyprothepin 5,8-disulfide?
The molecular weight of Oxyprothepin 5,8-disulfide is 432.15 g/mol.
Where can I buy Oxyprothepin 5,8-disulfide?
You can request a quote for Oxyprothepin 5,8-disulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxyprothepin 5,8-disulfide?
Yes, KEHONG BIO provides custom synthesis services for Oxyprothepin 5,8-disulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.