N-Methylschumannificine
TL;DR: N-Methylschumannificine (CAS 88720-92-7) is a chemical compound with molecular formula C17H17NO6 and molecular weight 331.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,11-dihydroxy-6,15-dimethyl-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: N-Methylschumannificine, 4H,9H-Pyrano(2',3':5,6)(1)benzopyrano(3,4-c0pyridine-4,9-dione, 8,8a,10,11,12,12a-hexahydro-5,8-dihydroxy-2,10-dimethyl-, 5,7-Dihydroxy-2,8-dimethyl-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-2,8-dimethyl-6a,7,8,9,10,10a-hexahydro-4H,6H-pyrano[3',2':6,7]chromeno[3,2-c]pyridine-4,6-dione, 7,11-Dihydroxy-6,15-dimethyl-2,16-dioxa-6-azatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),11,14,17-tetraene-9,13-dione
| Molecular Formula | C17H17NO6 |
|---|---|
| Molecular Weight | 331.11 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 331.1056 |
| Heavy Atoms | 24 |
| Complexity | 604.0 |
Chemical Identifiers
| CAS Number | 88720-92-7 |
|---|---|
| SMILES | CC1=CC(=O)C2=C(C3=C(C=C2O1)OC4CCN(C(C4C3=O)O)C)O |
| InChIKey | VAAJKLYKCBUSIZ-UHFFFAOYSA-N |
Product Overview
N-Methylschumannificine (CAS 88720-92-7), with molecular formula C17H17NO6 and molecular weight 331.11 g/mol. IUPAC: 7,11-dihydroxy-6,15-dimethyl-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 N-Methylschumannificine
Property Insights of N-Methylschumannificine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methylschumannificine. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Methylschumannificine. Following Lipinski's Rule of Five, N-Methylschumannificine 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 N-Methylschumannificine?
The CAS number of N-Methylschumannificine is 88720-92-7.
What is the molecular formula of N-Methylschumannificine?
The molecular formula of N-Methylschumannificine is C17H17NO6.
What is the molecular weight of N-Methylschumannificine?
The molecular weight of N-Methylschumannificine is 331.11 g/mol.
Where can I buy N-Methylschumannificine?
You can request a quote for N-Methylschumannificine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methylschumannificine?
Yes, KEHONG BIO provides custom synthesis services for N-Methylschumannificine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.