Schumannificine
TL;DR: Schumannificine (CAS 88720-91-6) is a chemical compound with molecular formula C16H15NO6 and molecular weight 317.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,11-dihydroxy-15-methyl-2,16-dioxa-6-azatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),11,14,17-tetraene-9,13-dione
Also Known As: Schumannificine, 4H,9H-Pyrano(2',3':5,6)(1)benzopyrano(3,4-c)pyridine-4,9-dione, 8,8a,10,11,12,12a-hexahydro-5,8-dihydroxy-2-methyl-, 5,7-Dihydroxy-2-methyl-6a,7,8,9,10,10a-hexahydro-4H,6H-pyrano[3',2':6,7][1]benzopyrano[3,2-c]pyridine-4,6-dione, 5,7-dihydroxy-2-methyl-6a,7,8,9,10,10a-hexahydro-4H,6H-pyrano[3',2':6,7]chromeno[3,2-c]pyridine-4,6-dione, RefChem:181863
| Molecular Formula | C16H15NO6 |
|---|---|
| Molecular Weight | 317.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 317.08994 |
| Heavy Atoms | 23 |
| Complexity | 575.0 |
Chemical Identifiers
| CAS Number | 88720-91-6 |
|---|---|
| SMILES | CC1=CC(=O)C2=C(C3=C(C=C2O1)OC4CCNC(C4C3=O)O)O |
| InChIKey | KCJLGLFSWBXJNM-UHFFFAOYSA-N |
Product Overview
Schumannificine (CAS 88720-91-6), with molecular formula C16H15NO6 and molecular weight 317.09 g/mol. IUPAC: 7,11-dihydroxy-15-methyl-2,16-dioxa-6-azatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),11,14,17-tetraene-9,13-dione.
Chemical Property Profile of Schumannificine
Property Insights of Schumannificine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Schumannificine. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Schumannificine. Following Lipinski's Rule of Five, Schumannificine has 3 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 Schumannificine?
The CAS number of Schumannificine is 88720-91-6.
What is the molecular formula of Schumannificine?
The molecular formula of Schumannificine is C16H15NO6.
What is the molecular weight of Schumannificine?
The molecular weight of Schumannificine is 317.09 g/mol.
Where can I buy Schumannificine?
You can request a quote for Schumannificine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Schumannificine?
Yes, KEHONG BIO provides custom synthesis services for Schumannificine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.