Ocokryptine
TL;DR: Ocokryptine (CAS 19893-96-0) is a chemical compound with molecular formula C20H21NO5 and molecular weight 355.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(12S)-2,17-dimethoxy-11-methyl-4,6-dioxa-11-azapentacyclo[10.7.1.03,7.08,20.014,19]icosa-1,3(7),8(20),14(19),15,17-hexaen-18-ol
Also Known As: Ocokryptine, Ockriptine, dimethoxy(methyl)[?]ol, J1.787.878F, 4H-Benzo(g)-1,3-benzodioxolo(4,5,6-de)quinolin-11-ol, 5,6,6a,7-tetrahydro-10,12-dimethoxy-6-methyl-, (6aS)-
| Molecular Formula | C20H21NO5 |
|---|---|
| Molecular Weight | 355.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 355.14197 |
| Heavy Atoms | 26 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 19893-96-0 |
|---|---|
| SMILES | CN1CCC2=C3[C@@H]1CC4=C(C3=C(C5=C2OCO5)OC)C(=C(C=C4)OC)O |
| InChIKey | WVFYXDXLDUXBOO-LBPRGKRZSA-N |
Product Overview
Ocokryptine (CAS 19893-96-0), with molecular formula C20H21NO5 and molecular weight 355.14 g/mol. IUPAC: (12S)-2,17-dimethoxy-11-methyl-4,6-dioxa-11-azapentacyclo[10.7.1.03,7.08,20.014,19]icosa-1,3(7),8(20),14(19),15,17-hexaen-18-ol.
Chemical Property Profile of Ocokryptine
Property Insights of Ocokryptine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ocokryptine. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ocokryptine. Following Lipinski's Rule of Five, Ocokryptine has 1 hydrogen bond donor(s) and 6 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 Ocokryptine?
The CAS number of Ocokryptine is 19893-96-0.
What is the molecular formula of Ocokryptine?
The molecular formula of Ocokryptine is C20H21NO5.
What is the molecular weight of Ocokryptine?
The molecular weight of Ocokryptine is 355.14 g/mol.
Where can I buy Ocokryptine?
You can request a quote for Ocokryptine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ocokryptine?
Yes, KEHONG BIO provides custom synthesis services for Ocokryptine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.