Dibenzo(b,f)thiepin-2-acetic acid, 10,11-dihydro-alpha,8-dimethyl-11-oxo-
TL;DR: Dibenzo(b,f)thiepin-2-acetic acid, 10,11-dihydro-alpha,8-dimethyl-11-oxo- (CAS 77693-03-9) is a chemical compound with molecular formula C18H16O3S and molecular weight 312.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(8-methyl-5-oxo-6H-benzo[b][1]benzothiepin-3-yl)propanoic acid
Also Known As: 10,11-Dihydro-alpha,8-dimethyl-11-oxo-dibenzo(b,f)thiepin-2-acetic acid, 2-(8-Methyl-10,11-dihydro-11-oxodibenzo(b,f)thiepin-2-yl)propionic acid, DIBENZO(b,f)THIEPIN-2-ACETIC ACID, 10,11-DIHYDRO-alpha,8-DIMETHYL-11-OXO-, Propionic acid, 2-(8-methyl-10,11-dihydro-11-oxodibenzo(b,f)thiepin-2-yl)-, 2-(8-methyl-5-oxo-6H-benzo[b][1]benzothiepin-3-yl)propanoic acid
| Molecular Formula | C18H16O3S |
|---|---|
| Molecular Weight | 312.08 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.082 |
| Heavy Atoms | 22 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 77693-03-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)SC3=C(C=C(C=C3)C(C)C(=O)O)C(=O)C2 |
| InChIKey | HPAFMJRQXOLETH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibenzo(b,f)thiepin-2-acetic acid, 10,11-dihydro-alpha,8-dimethyl-11-oxo- (CAS 77693-03-9), with molecular formula C18H16O3S and molecular weight 312.08 g/mol. IUPAC: 2-(8-methyl-5-oxo-6H-benzo[b][1]benzothiepin-3-yl)propanoic acid.
Chemical Property Profile of Dibenzo(b,f)thiepin-2-acetic acid, 10,11-dihydro-alpha,8-dimethyl-11-oxo-
Property Insights of Dibenzo(b,f)thiepin-2-acetic acid, 10,11-dihydro-alpha,8-dimethyl-11-oxo-
The XLogP value of 3.8 indicates that Dibenzo(b,f)thiepin-2-acetic acid, 10,11-dihydro-alpha,8-dimethyl-11-oxo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibenzo(b,f)thiepin-2-acetic acid, 10,11-dihydro-alpha,8-dimethyl-11-oxo-. Following Lipinski's Rule of Five, Dibenzo(b,f)thiepin-2-acetic acid, 10,11-dihydro-alpha,8-dimethyl-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 Dibenzo(b,f)thiepin-2-acetic acid, 10,11-dihydro-alpha,8-dimethyl-11-oxo-?
The CAS number of Dibenzo(b,f)thiepin-2-acetic acid, 10,11-dihydro-alpha,8-dimethyl-11-oxo- is 77693-03-9.
What is the molecular formula of Dibenzo(b,f)thiepin-2-acetic acid, 10,11-dihydro-alpha,8-dimethyl-11-oxo-?
The molecular formula of Dibenzo(b,f)thiepin-2-acetic acid, 10,11-dihydro-alpha,8-dimethyl-11-oxo- is C18H16O3S.
What is the molecular weight of Dibenzo(b,f)thiepin-2-acetic acid, 10,11-dihydro-alpha,8-dimethyl-11-oxo-?
The molecular weight of Dibenzo(b,f)thiepin-2-acetic acid, 10,11-dihydro-alpha,8-dimethyl-11-oxo- is 312.08 g/mol.
Where can I buy Dibenzo(b,f)thiepin-2-acetic acid, 10,11-dihydro-alpha,8-dimethyl-11-oxo-?
You can request a quote for Dibenzo(b,f)thiepin-2-acetic acid, 10,11-dihydro-alpha,8-dimethyl-11-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzo(b,f)thiepin-2-acetic acid, 10,11-dihydro-alpha,8-dimethyl-11-oxo-?
Yes, KEHONG BIO provides custom synthesis services for Dibenzo(b,f)thiepin-2-acetic acid, 10,11-dihydro-alpha,8-dimethyl-11-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.