20-(1,5-Hexadiynyl)-5-pregnen-3,20-diol
TL;DR: 20-(1,5-Hexadiynyl)-5-pregnen-3,20-diol (CAS 86519-01-9) is a chemical compound with molecular formula C6H12N3O6PS and molecular weight 285.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-dimethoxyphosphoryl-5-methoxy-2-methyl-1,2,4,6-thiatriazine 1,1-dioxide
Also Known As: 20-(1,5-Hexadiynyl)-5-pregnen-3,20-diol, Phosphonic acid, (5-methoxy-2-methyl-1,1-dioxido-2H-1,2,4,6-thiatriazin-3-yl)-, dimethyl ester, 3-dimethoxyphosphoryl-5-methoxy-2-methyl-1,2,4,6-thiatriazine 1,1-dioxide, 6-Methyl-3-methoxy-5-dimethylphosphono-6H-1,2,4,6-thiatriazine-1,1-dioxide, Dimethyl (5-methoxy-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,4,6-thiatriazin-3-yl)phosphonate
| Molecular Formula | C6H12N3O6PS |
|---|---|
| Molecular Weight | 285.02 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.01843 |
| Heavy Atoms | 17 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 86519-01-9 |
|---|---|
| SMILES | CN1C(=NC(=NS1(=O)=O)OC)P(=O)(OC)OC |
| InChIKey | YWHKZGPNOJAPOG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
20-(1,5-Hexadiynyl)-5-pregnen-3,20-diol (CAS 86519-01-9), with molecular formula C6H12N3O6PS and molecular weight 285.02 g/mol. IUPAC: 3-dimethoxyphosphoryl-5-methoxy-2-methyl-1,2,4,6-thiatriazine 1,1-dioxide.
Chemical Property Profile of 20-(1,5-Hexadiynyl)-5-pregnen-3,20-diol
Property Insights of 20-(1,5-Hexadiynyl)-5-pregnen-3,20-diol
The XLogP value of -0.9 indicates that 20-(1,5-Hexadiynyl)-5-pregnen-3,20-diol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 20-(1,5-Hexadiynyl)-5-pregnen-3,20-diol. Following Lipinski's Rule of Five, 20-(1,5-Hexadiynyl)-5-pregnen-3,20-diol has 0 hydrogen bond donor(s) and 7 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 20-(1,5-Hexadiynyl)-5-pregnen-3,20-diol?
The CAS number of 20-(1,5-Hexadiynyl)-5-pregnen-3,20-diol is 86519-01-9.
What is the molecular formula of 20-(1,5-Hexadiynyl)-5-pregnen-3,20-diol?
The molecular formula of 20-(1,5-Hexadiynyl)-5-pregnen-3,20-diol is C6H12N3O6PS.
What is the molecular weight of 20-(1,5-Hexadiynyl)-5-pregnen-3,20-diol?
The molecular weight of 20-(1,5-Hexadiynyl)-5-pregnen-3,20-diol is 285.02 g/mol.
Where can I buy 20-(1,5-Hexadiynyl)-5-pregnen-3,20-diol?
You can request a quote for 20-(1,5-Hexadiynyl)-5-pregnen-3,20-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 20-(1,5-Hexadiynyl)-5-pregnen-3,20-diol?
Yes, KEHONG BIO provides custom synthesis services for 20-(1,5-Hexadiynyl)-5-pregnen-3,20-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.