Dibenz(b,e)oxepin-3-acetic acid, 6,11-dihydro-8-chloro-alpha-methyl-11-oxo-
TL;DR: Dibenz(b,e)oxepin-3-acetic acid, 6,11-dihydro-8-chloro-alpha-methyl-11-oxo- (CAS 55689-71-9) is a chemical compound with molecular formula C17H13ClO4 and molecular weight 316.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(8-chloro-11-oxo-6H-benzo[c][1]benzoxepin-3-yl)propanoic acid
Also Known As: DIBENZ(b,e)OXEPIN-3-ACETIC ACID, 6,11-DIHYDRO-8-CHLORO-alpha-METHYL-11-OXO-, 6,11-Dihydro-8-chloro-alpha-methyl-11-oxo-dibenz(b,c)oxepin-3-acetic acid, Dibenz(b,e)oxepin-3-acetic acid, 8-chloro-6,11-dihydro-alpha-methyl-11-oxo-, 11-oxo-6,11-dihydrodibenz[b,e]oxepin-3-acetic acid, 2-(8-chloro-11-oxo-6H-benzo[c][1]benzoxepin-3-yl)propanoic acid
| Molecular Formula | C17H13ClO4 |
|---|---|
| Molecular Weight | 316.05 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.05023 |
| Heavy Atoms | 22 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 55689-71-9 |
|---|---|
| SMILES | CC(C1=CC2=C(C=C1)C(=O)C3=C(CO2)C=C(C=C3)Cl)C(=O)O |
| InChIKey | MHJHFQUUNRQERU-UHFFFAOYSA-N |
Product Overview
Dibenz(b,e)oxepin-3-acetic acid, 6,11-dihydro-8-chloro-alpha-methyl-11-oxo- (CAS 55689-71-9), with molecular formula C17H13ClO4 and molecular weight 316.05 g/mol. IUPAC: 2-(8-chloro-11-oxo-6H-benzo[c][1]benzoxepin-3-yl)propanoic acid.
Chemical Property Profile of Dibenz(b,e)oxepin-3-acetic acid, 6,11-dihydro-8-chloro-alpha-methyl-11-oxo-
Property Insights of Dibenz(b,e)oxepin-3-acetic acid, 6,11-dihydro-8-chloro-alpha-methyl-11-oxo-
The XLogP value of 3.6 indicates that Dibenz(b,e)oxepin-3-acetic acid, 6,11-dihydro-8-chloro-alpha-methyl-11-oxo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibenz(b,e)oxepin-3-acetic acid, 6,11-dihydro-8-chloro-alpha-methyl-11-oxo-. Following Lipinski's Rule of Five, Dibenz(b,e)oxepin-3-acetic acid, 6,11-dihydro-8-chloro-alpha-methyl-11-oxo- has 1 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 Dibenz(b,e)oxepin-3-acetic acid, 6,11-dihydro-8-chloro-alpha-methyl-11-oxo-?
The CAS number of Dibenz(b,e)oxepin-3-acetic acid, 6,11-dihydro-8-chloro-alpha-methyl-11-oxo- is 55689-71-9.
What is the molecular formula of Dibenz(b,e)oxepin-3-acetic acid, 6,11-dihydro-8-chloro-alpha-methyl-11-oxo-?
The molecular formula of Dibenz(b,e)oxepin-3-acetic acid, 6,11-dihydro-8-chloro-alpha-methyl-11-oxo- is C17H13ClO4.
What is the molecular weight of Dibenz(b,e)oxepin-3-acetic acid, 6,11-dihydro-8-chloro-alpha-methyl-11-oxo-?
The molecular weight of Dibenz(b,e)oxepin-3-acetic acid, 6,11-dihydro-8-chloro-alpha-methyl-11-oxo- is 316.05 g/mol.
Where can I buy Dibenz(b,e)oxepin-3-acetic acid, 6,11-dihydro-8-chloro-alpha-methyl-11-oxo-?
You can request a quote for Dibenz(b,e)oxepin-3-acetic acid, 6,11-dihydro-8-chloro-alpha-methyl-11-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenz(b,e)oxepin-3-acetic acid, 6,11-dihydro-8-chloro-alpha-methyl-11-oxo-?
Yes, KEHONG BIO provides custom synthesis services for Dibenz(b,e)oxepin-3-acetic acid, 6,11-dihydro-8-chloro-alpha-methyl-11-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.