11,12-Dihydro-4-methoxydibenz(b,f)(1,4)oxazepine-8-carboxylate
TL;DR: 11,12-Dihydro-4-methoxydibenz(b,f)(1,4)oxazepine-8-carboxylate (CAS 75451-07-9) is a chemical compound with molecular formula C17H17NO4 and molecular weight 299.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 10-methoxy-5,6-dihydrobenzo[b][1,4]benzoxazepine-3-carboxylate
Also Known As: 11,12-Dihydro-4-methoxydibenz(b,f)(1,4)oxazepine-8-carboxylate, ethyl 10-methoxy-5,6-dihydrobenzo[b][1,4]benzoxazepine-3-carboxylate, Dibenz(b,f)(1,4)oxazepine-8-carboxylic acid, 10,11-dihydro-4-methoxy-, ethyl ester, Ethyl 4-methoxy-10,11-dihydrodibenzo[b,f][1,4]oxazepine-8-carboxylate, Dibenz[b,f][1,4]oxazepine-8-carboxylicacid, 10,11-dihydro-4-methoxy-, ethyl ester
| Molecular Formula | C17H17NO4 |
|---|---|
| Molecular Weight | 299.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.11575 |
| Heavy Atoms | 22 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 75451-07-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(C=C1)OC3=C(CN2)C=CC=C3OC |
| InChIKey | ZKMRNPBEBOXDCJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
11,12-Dihydro-4-methoxydibenz(b,f)(1,4)oxazepine-8-carboxylate (CAS 75451-07-9), with molecular formula C17H17NO4 and molecular weight 299.12 g/mol. IUPAC: ethyl 10-methoxy-5,6-dihydrobenzo[b][1,4]benzoxazepine-3-carboxylate.
Chemical Property Profile of 11,12-Dihydro-4-methoxydibenz(b,f)(1,4)oxazepine-8-carboxylate
Property Insights of 11,12-Dihydro-4-methoxydibenz(b,f)(1,4)oxazepine-8-carboxylate
The XLogP value of 3.2 indicates that 11,12-Dihydro-4-methoxydibenz(b,f)(1,4)oxazepine-8-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.8 Ų, 11,12-Dihydro-4-methoxydibenz(b,f)(1,4)oxazepine-8-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11,12-Dihydro-4-methoxydibenz(b,f)(1,4)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 11,12-Dihydro-4-methoxydibenz(b,f)(1,4)oxazepine-8-carboxylate?
The CAS number of 11,12-Dihydro-4-methoxydibenz(b,f)(1,4)oxazepine-8-carboxylate is 75451-07-9.
What is the molecular formula of 11,12-Dihydro-4-methoxydibenz(b,f)(1,4)oxazepine-8-carboxylate?
The molecular formula of 11,12-Dihydro-4-methoxydibenz(b,f)(1,4)oxazepine-8-carboxylate is C17H17NO4.
What is the molecular weight of 11,12-Dihydro-4-methoxydibenz(b,f)(1,4)oxazepine-8-carboxylate?
The molecular weight of 11,12-Dihydro-4-methoxydibenz(b,f)(1,4)oxazepine-8-carboxylate is 299.12 g/mol.
Where can I buy 11,12-Dihydro-4-methoxydibenz(b,f)(1,4)oxazepine-8-carboxylate?
You can request a quote for 11,12-Dihydro-4-methoxydibenz(b,f)(1,4)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 11,12-Dihydro-4-methoxydibenz(b,f)(1,4)oxazepine-8-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 11,12-Dihydro-4-methoxydibenz(b,f)(1,4)oxazepine-8-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.