10,11-Dihydro-2-chloro-alpha-methyl-11-oxodibenz(b,f)(1,4)oxazepine-8-acetic acid
TL;DR: 10,11-Dihydro-2-chloro-alpha-methyl-11-oxodibenz(b,f)(1,4)oxazepine-8-acetic acid (CAS 109790-29-6) is a chemical compound with molecular formula C16H12ClNO4 and molecular weight 317.04547 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(8-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-3-yl)propanoic acid
Also Known As: 10,11-Dihydro-2-chloro-alpha-methyl-11-oxodibenz(b,f)(1,4)oxazepine-8-acetic acid, Dibenz(b,f)(1,4)oxazepine-8-acetic acid, 10,11-dihydro-2-chloro-alpha-methyl-11-oxo-, Propanoic acid, 2-(10,11-dihydro-2-chloro-11-oxodibenz(b,f)(1,4)oxazepin-7-yl)-, 2-(2-Chloro-11-hydroxydibenzo[b,f][1,4]oxazepin-8-yl)propanoic acid, 2-(8-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-3-yl)propanoic acid
Technical Specifications
| Molecular Formula | C16H12ClNO4 |
| Molecular Weight | 317.04547 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.04547 Da |
| Heavy Atoms | 22 |
| Complexity | 457.0 |
| SMILES | CC(C1=CC2=C(C=C1)OC3=C(C=C(C=C3)Cl)C(=O)N2)C(=O)O |
| InChIKey | NVFWVQBUTMXBIU-UHFFFAOYSA-N |
Chemical Property Profile of 10,11-Dihydro-2-chloro-alpha-methyl-11-oxodibenz(b,f)(1,4)oxazepine-8-acetic acid
Property Insights of 10,11-Dihydro-2-chloro-alpha-methyl-11-oxodibenz(b,f)(1,4)oxazepine-8-acetic acid
The XLogP value of 3.0 indicates that 10,11-Dihydro-2-chloro-alpha-methyl-11-oxodibenz(b,f)(1,4)oxazepine-8-acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 10,11-Dihydro-2-chloro-alpha-methyl-11-oxodibenz(b,f)(1,4)oxazepine-8-acetic acid. Following Lipinski's Rule of Five, 10,11-Dihydro-2-chloro-alpha-methyl-11-oxodibenz(b,f)(1,4)oxazepine-8-acetic acid 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
What is the CAS number of 10,11-Dihydro-2-chloro-alpha-methyl-11-oxodibenz(b,f)(1,4)oxazepine-8-acetic acid?
The CAS number of 10,11-Dihydro-2-chloro-alpha-methyl-11-oxodibenz(b,f)(1,4)oxazepine-8-acetic acid is 109790-29-6.
What is the molecular formula of 10,11-Dihydro-2-chloro-alpha-methyl-11-oxodibenz(b,f)(1,4)oxazepine-8-acetic acid?
The molecular formula of 10,11-Dihydro-2-chloro-alpha-methyl-11-oxodibenz(b,f)(1,4)oxazepine-8-acetic acid is C16H12ClNO4.
What is the molecular weight of 10,11-Dihydro-2-chloro-alpha-methyl-11-oxodibenz(b,f)(1,4)oxazepine-8-acetic acid?
The molecular weight of 10,11-Dihydro-2-chloro-alpha-methyl-11-oxodibenz(b,f)(1,4)oxazepine-8-acetic acid is 317.04547 g/mol.
Where can I buy 10,11-Dihydro-2-chloro-alpha-methyl-11-oxodibenz(b,f)(1,4)oxazepine-8-acetic acid?
You can request a quote for 10,11-Dihydro-2-chloro-alpha-methyl-11-oxodibenz(b,f)(1,4)oxazepine-8-acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 10,11-Dihydro-2-chloro-alpha-methyl-11-oxodibenz(b,f)(1,4)oxazepine-8-acetic acid?
Yes, CoreyChem provides custom synthesis services for 10,11-Dihydro-2-chloro-alpha-methyl-11-oxodibenz(b,f)(1,4)oxazepine-8-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.