7-Methoxy-3,1-benzoxazepine-2-carbonitrile
TL;DR: 7-Methoxy-3,1-benzoxazepine-2-carbonitrile (CAS 19062-88-5) is a chemical compound with molecular formula C11H8N2O2 and molecular weight 200.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxy-3,1-benzoxazepine-2-carbonitrile
Also Known As: 7-Methoxy-3,1-benzoxazepine-2-carbonitrile, 3,1-Benzoxazepine-2-carbonitrile, 7-methoxy-, 7-Methoxy-3,1-benzoxazepine-2-carbonitrile #, 7-methoxybenzo[d][1,3]oxazepine-2-carbonitrile, 7-methoxy-benzo[d][1,3]oxazepine-2-carbonitrile
| Molecular Formula | C11H8N2O2 |
|---|---|
| Molecular Weight | 200.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.05858 |
| Heavy Atoms | 15 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 19062-88-5 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)N=C(OC=C2)C#N |
| InChIKey | MGQRYPQDFQRNHU-UHFFFAOYSA-N |
Product Overview
7-Methoxy-3,1-benzoxazepine-2-carbonitrile (CAS 19062-88-5), with molecular formula C11H8N2O2 and molecular weight 200.06 g/mol. IUPAC: 7-methoxy-3,1-benzoxazepine-2-carbonitrile.
Chemical Property Profile of 7-Methoxy-3,1-benzoxazepine-2-carbonitrile
Property Insights of 7-Methoxy-3,1-benzoxazepine-2-carbonitrile
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Methoxy-3,1-benzoxazepine-2-carbonitrile. With a topological polar surface area (TPSA) of 54.6 Ų, 7-Methoxy-3,1-benzoxazepine-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Methoxy-3,1-benzoxazepine-2-carbonitrile 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 7-Methoxy-3,1-benzoxazepine-2-carbonitrile?
The CAS number of 7-Methoxy-3,1-benzoxazepine-2-carbonitrile is 19062-88-5.
What is the molecular formula of 7-Methoxy-3,1-benzoxazepine-2-carbonitrile?
The molecular formula of 7-Methoxy-3,1-benzoxazepine-2-carbonitrile is C11H8N2O2.
What is the molecular weight of 7-Methoxy-3,1-benzoxazepine-2-carbonitrile?
The molecular weight of 7-Methoxy-3,1-benzoxazepine-2-carbonitrile is 200.06 g/mol.
Where can I buy 7-Methoxy-3,1-benzoxazepine-2-carbonitrile?
You can request a quote for 7-Methoxy-3,1-benzoxazepine-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methoxy-3,1-benzoxazepine-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 7-Methoxy-3,1-benzoxazepine-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.