3-Methoxy-11-methyldibenz(b,f)oxazepine-8-carboxylate
TL;DR: 3-Methoxy-11-methyldibenz(b,f)oxazepine-8-carboxylate (CAS 90158-59-1) is a chemical compound with molecular formula C16H13NO4 and molecular weight 283.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-methoxy-6-methylbenzo[b][1,4]benzoxazepine-3-carboxylic acid
Also Known As: 3-Methoxy-11-methyldibenz(b,f)oxazepine-8-carboxylate, 9-methoxy-6-methylbenzo[b][1,4]benzoxazepine-3-carboxylic acid, 9-methoxy-6-methylbenzo[b][1,4]benzoxazepine-3-carboxylic ac, 11-methyl-3-methoxydibenz[b,f][1,4]oxazepine-8-carboxylic acid, 3-methoxy-11-methyldibenzo[b,f][1,4]oxazepin-8-carboxylic acid
| Molecular Formula | C16H13NO4 |
|---|---|
| Molecular Weight | 283.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 68.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.08447 |
| Heavy Atoms | 21 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 90158-59-1 |
|---|---|
| SMILES | CC1=NC2=C(C=CC(=C2)C(=O)O)OC3=C1C=CC(=C3)OC |
| InChIKey | JTZGDJSJVQONAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methoxy-11-methyldibenz(b,f)oxazepine-8-carboxylate (CAS 90158-59-1), with molecular formula C16H13NO4 and molecular weight 283.08 g/mol. IUPAC: 9-methoxy-6-methylbenzo[b][1,4]benzoxazepine-3-carboxylic acid.
Chemical Property Profile of 3-Methoxy-11-methyldibenz(b,f)oxazepine-8-carboxylate
Property Insights of 3-Methoxy-11-methyldibenz(b,f)oxazepine-8-carboxylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxy-11-methyldibenz(b,f)oxazepine-8-carboxylate. The TPSA of 68.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methoxy-11-methyldibenz(b,f)oxazepine-8-carboxylate. Following Lipinski's Rule of Five, 3-Methoxy-11-methyldibenz(b,f)oxazepine-8-carboxylate has 1 hydrogen bond donor(s) and 5 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-Methoxy-11-methyldibenz(b,f)oxazepine-8-carboxylate?
The CAS number of 3-Methoxy-11-methyldibenz(b,f)oxazepine-8-carboxylate is 90158-59-1.
What is the molecular formula of 3-Methoxy-11-methyldibenz(b,f)oxazepine-8-carboxylate?
The molecular formula of 3-Methoxy-11-methyldibenz(b,f)oxazepine-8-carboxylate is C16H13NO4.
What is the molecular weight of 3-Methoxy-11-methyldibenz(b,f)oxazepine-8-carboxylate?
The molecular weight of 3-Methoxy-11-methyldibenz(b,f)oxazepine-8-carboxylate is 283.08 g/mol.
Where can I buy 3-Methoxy-11-methyldibenz(b,f)oxazepine-8-carboxylate?
You can request a quote for 3-Methoxy-11-methyldibenz(b,f)oxazepine-8-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxy-11-methyldibenz(b,f)oxazepine-8-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxy-11-methyldibenz(b,f)oxazepine-8-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.