9-Methoxy-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-4-amine
TL;DR: 9-Methoxy-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-4-amine (CAS 69536-29-4) is a chemical compound with molecular formula C11H13N3O2 and molecular weight 219.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-11-amine
Also Known As: 9-Methoxy-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-4-amine, 5-Methoxy-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-11-amine
| Molecular Formula | C11H13N3O2 |
|---|---|
| Molecular Weight | 219.10 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 68.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.10077 |
| Heavy Atoms | 16 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 69536-29-4 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C3CC(O2)N=C(N3)N |
| InChIKey | AAKBUOZURSCGKP-UHFFFAOYSA-N |
Product Overview
9-Methoxy-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-4-amine (CAS 69536-29-4), with molecular formula C11H13N3O2 and molecular weight 219.10 g/mol. IUPAC: 5-methoxy-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-11-amine.
Chemical Property Profile of 9-Methoxy-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-4-amine
Property Insights of 9-Methoxy-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-4-amine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Methoxy-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-4-amine. The TPSA of 68.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Methoxy-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-4-amine. Following Lipinski's Rule of Five, 9-Methoxy-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-4-amine has 2 hydrogen bond donor(s) and 3 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 9-Methoxy-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-4-amine?
The CAS number of 9-Methoxy-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-4-amine is 69536-29-4.
What is the molecular formula of 9-Methoxy-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-4-amine?
The molecular formula of 9-Methoxy-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-4-amine is C11H13N3O2.
What is the molecular weight of 9-Methoxy-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-4-amine?
The molecular weight of 9-Methoxy-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-4-amine is 219.10 g/mol.
Where can I buy 9-Methoxy-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-4-amine?
You can request a quote for 9-Methoxy-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Methoxy-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 9-Methoxy-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.