3-Methoxysampangine
TL;DR: 3-Methoxysampangine (CAS 128129-42-0) is a chemical compound with molecular formula C16H10N2O2 and molecular weight 262.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-methoxy-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one
Also Known As: 3-Methoxysampangine, methoxy[?]one, 3-Methoxy-7H-naphtho[1,2,3-ij][2,7]naphthyridin-7-one, 7H-Naphtho(1,2,3-ij)(2,7)naphthyridin-7-one, 3-methoxy-, 14-methoxy-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one
| Molecular Formula | C16H10N2O2 |
|---|---|
| Molecular Weight | 262.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 262.07422 |
| Heavy Atoms | 20 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 128129-42-0 |
|---|---|
| SMILES | COC1=CN=C2C3=CC=CC=C3C(=O)C4=NC=CC1=C24 |
| InChIKey | FBVVMYZYZXYLIA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methoxysampangine (CAS 128129-42-0), with molecular formula C16H10N2O2 and molecular weight 262.07 g/mol. IUPAC: 14-methoxy-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one.
Chemical Property Profile of 3-Methoxysampangine
Property Insights of 3-Methoxysampangine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxysampangine. With a topological polar surface area (TPSA) of 52.1 Ų, 3-Methoxysampangine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxysampangine has 0 hydrogen bond donor(s) and 4 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 3-Methoxysampangine?
The CAS number of 3-Methoxysampangine is 128129-42-0.
What is the molecular formula of 3-Methoxysampangine?
The molecular formula of 3-Methoxysampangine is C16H10N2O2.
What is the molecular weight of 3-Methoxysampangine?
The molecular weight of 3-Methoxysampangine is 262.07 g/mol.
Where can I buy 3-Methoxysampangine?
You can request a quote for 3-Methoxysampangine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxysampangine?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxysampangine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.