Ochrobirine
TL;DR: Ochrobirine (CAS 68736-95-8) is a chemical compound with molecular formula C20H19NO6 and molecular weight 369.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,8S)-6'-methylspiro[6,8-dihydrocyclopenta[g][1,3]benzodioxole-7,5'-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline]-6,8-diol
Also Known As: Ochrobirine, Spiro(1,3-dioxolo(4,5-g)isoquinoline-5(6H),7'-(7H)indeno(4,5-d)(1,3)dioxole)-6',8'-diol, 6',7,8,8'-tetrahydro-6-methyl-, (6'R,7'S,8'S)-, (6'R,8'S)-6-Methyl-6',7,8,8'-tetrahydro-2H,2'H,6H-spiro[[1,3]dioxolo[4,5-g]isoquinoline-5,7'-indeno[4,5-d][1,3]dioxole]-6',8'-diol, (6R,8S)-6'-methylspiro[6,8-dihydrocyclopenta[g][1,3]benzodioxole-7,5'-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline]-6,8-diol, 6-Methyl-6',7,8,8'-tetrahydro-2H,2'H,6H-spiro[1,3-dioxolo[4,5-g]isoquinoline-5,7'-indeno[4,5-d][1,3]dioxole]-6',8'-diol
| Molecular Formula | C20H19NO6 |
|---|---|
| Molecular Weight | 369.12 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 80.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 369.12125 |
| Heavy Atoms | 27 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 68736-95-8 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C=C2C14[C@@H](C5=C([C@@H]4O)C6=C(C=C5)OCO6)O)OCO3 |
| InChIKey | JQOTXJRWMCMWBT-LFPSWIHMSA-N |
Product Overview
Ochrobirine (CAS 68736-95-8), with molecular formula C20H19NO6 and molecular weight 369.12 g/mol. IUPAC: (6R,8S)-6'-methylspiro[6,8-dihydrocyclopenta[g][1,3]benzodioxole-7,5'-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline]-6,8-diol.
Chemical Property Profile of Ochrobirine
Property Insights of Ochrobirine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ochrobirine. The TPSA of 80.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ochrobirine. Following Lipinski's Rule of Five, Ochrobirine has 2 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 Ochrobirine?
The CAS number of Ochrobirine is 68736-95-8.
What is the molecular formula of Ochrobirine?
The molecular formula of Ochrobirine is C20H19NO6.
What is the molecular weight of Ochrobirine?
The molecular weight of Ochrobirine is 369.12 g/mol.
Where can I buy Ochrobirine?
You can request a quote for Ochrobirine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ochrobirine?
Yes, KEHONG BIO provides custom synthesis services for Ochrobirine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.