4-(4,10-Dihydro-10-oxothieno(3,2-c)(1)benzoxepin-8-yl)butyric acid
TL;DR: 4-(4,10-Dihydro-10-oxothieno(3,2-c)(1)benzoxepin-8-yl)butyric acid (CAS 88358-30-9) is a chemical compound with molecular formula C16H14O4S and molecular weight 302.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(10-oxo-4H-thieno[3,2-c][1]benzoxepin-8-yl)butanoic acid
Also Known As: 4-Dobba, 4-(4,10-dihydro-10-oxothieno butyricacid, 4-(4,10-dihydro-10-oxothieno butyricacid, 4-(4,10-Dihydro-10-oxothieno(3,2-c)(1)benzoxepin-8-yl)butyric acid, 4-(10-oxo-4H-thieno[3,2-c][1]benzoxepin-8-yl)butanoic acid
| Molecular Formula | C16H14O4S |
|---|---|
| Molecular Weight | 302.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 91.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.06128 |
| Heavy Atoms | 21 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 88358-30-9 |
|---|---|
| SMILES | C1C2=C(C(=O)C3=C(O1)C=CC(=C3)CCCC(=O)O)SC=C2 |
| InChIKey | BRLXUMGWALKMST-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(4,10-Dihydro-10-oxothieno(3,2-c)(1)benzoxepin-8-yl)butyric acid (CAS 88358-30-9), with molecular formula C16H14O4S and molecular weight 302.06 g/mol. IUPAC: 4-(10-oxo-4H-thieno[3,2-c][1]benzoxepin-8-yl)butanoic acid.
Chemical Property Profile of 4-(4,10-Dihydro-10-oxothieno(3,2-c)(1)benzoxepin-8-yl)butyric acid
Property Insights of 4-(4,10-Dihydro-10-oxothieno(3,2-c)(1)benzoxepin-8-yl)butyric acid
The XLogP value of 3.0 indicates that 4-(4,10-Dihydro-10-oxothieno(3,2-c)(1)benzoxepin-8-yl)butyric acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4,10-Dihydro-10-oxothieno(3,2-c)(1)benzoxepin-8-yl)butyric acid. Following Lipinski's Rule of Five, 4-(4,10-Dihydro-10-oxothieno(3,2-c)(1)benzoxepin-8-yl)butyric acid has 1 hydrogen bond donor(s) and 5 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 4-(4,10-Dihydro-10-oxothieno(3,2-c)(1)benzoxepin-8-yl)butyric acid?
The CAS number of 4-(4,10-Dihydro-10-oxothieno(3,2-c)(1)benzoxepin-8-yl)butyric acid is 88358-30-9.
What is the molecular formula of 4-(4,10-Dihydro-10-oxothieno(3,2-c)(1)benzoxepin-8-yl)butyric acid?
The molecular formula of 4-(4,10-Dihydro-10-oxothieno(3,2-c)(1)benzoxepin-8-yl)butyric acid is C16H14O4S.
What is the molecular weight of 4-(4,10-Dihydro-10-oxothieno(3,2-c)(1)benzoxepin-8-yl)butyric acid?
The molecular weight of 4-(4,10-Dihydro-10-oxothieno(3,2-c)(1)benzoxepin-8-yl)butyric acid is 302.06 g/mol.
Where can I buy 4-(4,10-Dihydro-10-oxothieno(3,2-c)(1)benzoxepin-8-yl)butyric acid?
You can request a quote for 4-(4,10-Dihydro-10-oxothieno(3,2-c)(1)benzoxepin-8-yl)butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4,10-Dihydro-10-oxothieno(3,2-c)(1)benzoxepin-8-yl)butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4,10-Dihydro-10-oxothieno(3,2-c)(1)benzoxepin-8-yl)butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.