18-formyl-17-hydroxy-2,11-dithiaparacyclo(2,5)pyridinophane
TL;DR: 18-formyl-17-hydroxy-2,11-dithiaparacyclo(2,5)pyridinophane (CAS 61576-74-7) is a chemical compound with molecular formula C16H15NO2S2 and molecular weight 317.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
18-hydroxy-3,10-dithia-6-azatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene-17-carbaldehyde
Also Known As: 18-formyl-17-hydroxy-2,11-dithiaparacyclo(2,5)pyridinophane, 1~3~-Hydroxy-3,7-dithia-1(2,5)-pyridina-5(1,4)-benzenacyclooctaphane-1~4~-carbaldehyde, 18-Hydroxy-3,10-dithia-6-azatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene-17-carbaldehyde
| Molecular Formula | C16H15NO2S2 |
|---|---|
| Molecular Weight | 317.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 317.0544 |
| Heavy Atoms | 21 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 61576-74-7 |
|---|---|
| SMILES | C1C2=CC=C(CSCC3=NC=C(CS1)C(=C3O)C=O)C=C2 |
| InChIKey | HSJJDPJFYAMOCA-UHFFFAOYSA-N |
Product Overview
18-formyl-17-hydroxy-2,11-dithiaparacyclo(2,5)pyridinophane (CAS 61576-74-7), with molecular formula C16H15NO2S2 and molecular weight 317.05 g/mol. IUPAC: 18-hydroxy-3,10-dithia-6-azatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene-17-carbaldehyde.
Chemical Property Profile of 18-formyl-17-hydroxy-2,11-dithiaparacyclo(2,5)pyridinophane
Property Insights of 18-formyl-17-hydroxy-2,11-dithiaparacyclo(2,5)pyridinophane
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 18-formyl-17-hydroxy-2,11-dithiaparacyclo(2,5)pyridinophane. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 18-formyl-17-hydroxy-2,11-dithiaparacyclo(2,5)pyridinophane. Following Lipinski's Rule of Five, 18-formyl-17-hydroxy-2,11-dithiaparacyclo(2,5)pyridinophane 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 18-formyl-17-hydroxy-2,11-dithiaparacyclo(2,5)pyridinophane?
The CAS number of 18-formyl-17-hydroxy-2,11-dithiaparacyclo(2,5)pyridinophane is 61576-74-7.
What is the molecular formula of 18-formyl-17-hydroxy-2,11-dithiaparacyclo(2,5)pyridinophane?
The molecular formula of 18-formyl-17-hydroxy-2,11-dithiaparacyclo(2,5)pyridinophane is C16H15NO2S2.
What is the molecular weight of 18-formyl-17-hydroxy-2,11-dithiaparacyclo(2,5)pyridinophane?
The molecular weight of 18-formyl-17-hydroxy-2,11-dithiaparacyclo(2,5)pyridinophane is 317.05 g/mol.
Where can I buy 18-formyl-17-hydroxy-2,11-dithiaparacyclo(2,5)pyridinophane?
You can request a quote for 18-formyl-17-hydroxy-2,11-dithiaparacyclo(2,5)pyridinophane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 18-formyl-17-hydroxy-2,11-dithiaparacyclo(2,5)pyridinophane?
Yes, KEHONG BIO provides custom synthesis services for 18-formyl-17-hydroxy-2,11-dithiaparacyclo(2,5)pyridinophane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.