6,7,8,9-Tetrahydro-7-methyl-5H-dibenz(b,i)(1,6)oxazecinium hydrogen maleate
TL;DR: 6,7,8,9-Tetrahydro-7-methyl-5H-dibenz(b,i)(1,6)oxazecinium hydrogen maleate (CAS 83507-03-3) is a chemical compound with molecular formula C21H23NO5 and molecular weight 369.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;11-methyl-2-oxa-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaene
Also Known As: EINECS 280-470-3, 6,7,8,9-Tetrahydro-7-methyl-5H-dibenz(b,i)(1,6)oxazecinium hydrogen maleate, 6,7,8,9-tetrahydro-7-methyl-5H-dibenz(b,i)(1,6)oxazecine (Z)-2-butene dioate
| Molecular Formula | C21H23NO5 |
|---|---|
| Molecular Weight | 369.16 g/mol |
| LogP | 3.2211 |
| Topological Polar Surface Area | 87.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 369.15762 |
| Heavy Atoms | 27 |
| Complexity | 750.2242 |
Chemical Identifiers
| CAS Number | 83507-03-3 |
|---|---|
| SMILES | CN1CCC2=CC=CC=C2OC3=CC=CC=C3CC1.C(=C\C(=O)O)\C(=O)O |
Product Overview
6,7,8,9-Tetrahydro-7-methyl-5H-dibenz(b,i)(1,6)oxazecinium hydrogen maleate (CAS 83507-03-3), with molecular formula C21H23NO5 and molecular weight 369.16 g/mol. IUPAC: (Z)-but-2-enedioic acid;11-methyl-2-oxa-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaene.
Chemical Property Profile of 6,7,8,9-Tetrahydro-7-methyl-5H-dibenz(b,i)(1,6)oxazecinium hydrogen maleate
Property Insights of 6,7,8,9-Tetrahydro-7-methyl-5H-dibenz(b,i)(1,6)oxazecinium hydrogen maleate
The XLogP value of 3.2211 indicates that 6,7,8,9-Tetrahydro-7-methyl-5H-dibenz(b,i)(1,6)oxazecinium hydrogen maleate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,7,8,9-Tetrahydro-7-methyl-5H-dibenz(b,i)(1,6)oxazecinium hydrogen maleate. Following Lipinski's Rule of Five, 6,7,8,9-Tetrahydro-7-methyl-5H-dibenz(b,i)(1,6)oxazecinium hydrogen maleate has 2 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 6,7,8,9-Tetrahydro-7-methyl-5H-dibenz(b,i)(1,6)oxazecinium hydrogen maleate?
The CAS number of 6,7,8,9-Tetrahydro-7-methyl-5H-dibenz(b,i)(1,6)oxazecinium hydrogen maleate is 83507-03-3.
What is the molecular formula of 6,7,8,9-Tetrahydro-7-methyl-5H-dibenz(b,i)(1,6)oxazecinium hydrogen maleate?
The molecular formula of 6,7,8,9-Tetrahydro-7-methyl-5H-dibenz(b,i)(1,6)oxazecinium hydrogen maleate is C21H23NO5.
What is the molecular weight of 6,7,8,9-Tetrahydro-7-methyl-5H-dibenz(b,i)(1,6)oxazecinium hydrogen maleate?
The molecular weight of 6,7,8,9-Tetrahydro-7-methyl-5H-dibenz(b,i)(1,6)oxazecinium hydrogen maleate is 369.16 g/mol.
Where can I buy 6,7,8,9-Tetrahydro-7-methyl-5H-dibenz(b,i)(1,6)oxazecinium hydrogen maleate?
You can request a quote for 6,7,8,9-Tetrahydro-7-methyl-5H-dibenz(b,i)(1,6)oxazecinium hydrogen maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7,8,9-Tetrahydro-7-methyl-5H-dibenz(b,i)(1,6)oxazecinium hydrogen maleate?
Yes, KEHONG BIO provides custom synthesis services for 6,7,8,9-Tetrahydro-7-methyl-5H-dibenz(b,i)(1,6)oxazecinium hydrogen maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.