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 317.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C16H12ClNO4 |
|---|---|
| Molecular Weight | 317.05 g/mol |
| LogP | 3.8861 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.04547 |
| Heavy Atoms | 22 |
| Complexity | 787.71045 |
Chemical Identifiers
| CAS Number | 109790-29-6 |
|---|---|
| SMILES | CC(C1=CC2=C(C=C1)OC3=C(C=C(C=C3)Cl)C(=O)N2)C(=O)O |
Product Overview
10,11-Dihydro-2-chloro-alpha-methyl-11-oxodibenz(b,f)(1,4)oxazepine-8-acetic acid (CAS 109790-29-6), with molecular formula C16H12ClNO4 and molecular weight 317.05 g/mol. IUPAC: 2-(8-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-3-yl)propanoic acid.
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 3.8861 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 75.63 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 3 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 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 317.05 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10,11-Dihydro-2-chloro-alpha-methyl-11-oxodibenz(b,f)(1,4)oxazepine-8-acetic acid?
Yes, KEHONG BIO 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.