Oxyberberrubine
TL;DR: Oxyberberrubine (CAS 29580-82-3) is a chemical compound with molecular formula C19H15NO5 and molecular weight 337.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-hydroxy-17-methoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaen-14-one
Also Known As: Oxyberberrubine, 8-Oxyberberrubine, 5,6-Dihydro-9-hydroxy-10-methoxy-8H-benzo[g]-1,3-benzodioxolo[5,6-a]quinolizin-8-one, 16-hydroxy-17-methoxy-5,7-dioxa-13-azapentacyclo(11.8.0.02,10.04,8.015,20)henicosa-1(21),2,4(8),9,15(20),16,18-heptaen-14-one, 16-hydroxy-17-methoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaen-14-one
| Molecular Formula | C19H15NO5 |
|---|---|
| Molecular Weight | 337.10 g/mol |
| LogP | 2.6675 |
| Topological Polar Surface Area | 69.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 337.09503 |
| Heavy Atoms | 25 |
| Complexity | 1099.3904 |
Chemical Identifiers
| CAS Number | 29580-82-3 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C=C3C4=CC5=C(C=C4CCN3C2=O)OCO5)O |
Product Overview
Oxyberberrubine (CAS 29580-82-3), with molecular formula C19H15NO5 and molecular weight 337.10 g/mol. IUPAC: 16-hydroxy-17-methoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaen-14-one.
Chemical Property Profile of Oxyberberrubine
Property Insights of Oxyberberrubine
The XLogP value of 2.6675 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxyberberrubine. The TPSA of 69.92 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxyberberrubine. Following Lipinski's Rule of Five, Oxyberberrubine 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 Oxyberberrubine?
The CAS number of Oxyberberrubine is 29580-82-3.
What is the molecular formula of Oxyberberrubine?
The molecular formula of Oxyberberrubine is C19H15NO5.
What is the molecular weight of Oxyberberrubine?
The molecular weight of Oxyberberrubine is 337.10 g/mol.
Where can I buy Oxyberberrubine?
You can request a quote for Oxyberberrubine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxyberberrubine?
Yes, KEHONG BIO provides custom synthesis services for Oxyberberrubine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.