![1,3-dimethyl-4-oxo-6-(thiophen-2-yl)-4H-cyclohepta[c]furan-8-yl benzoate structure](/static/products/903/903868-70-2.png)
1,3-dimethyl-4-oxo-6-(thiophen-2-yl)-4H-cyclohepta[c]furan-8-yl benzoate
TL;DR: 1,3-dimethyl-4-oxo-6-(thiophen-2-yl)-4H-cyclohepta[c]furan-8-yl benzoate (CAS 903868-70-2) is a chemical compound with molecular formula C22H16O4S and molecular weight 376.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3-dimethyl-8-oxo-6-thiophen-2-ylcyclohepta[c]furan-4-yl) benzoate
Also Known As: 1,3-dimethyl-4-oxo-6-(thiophen-2-yl)-4H-cyclohepta[c]furan-8-yl benzoate, (1,3-dimethyl-8-oxo-6-thiophen-2-ylcyclohepta[c]furan-4-yl) benzoate
| Molecular Formula | C22H16O4S |
|---|---|
| Molecular Weight | 376.08 g/mol |
| LogP | 5.35754 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.07693 |
| Heavy Atoms | 27 |
| Complexity | 1188.6953 |
Chemical Identifiers
| CAS Number | 903868-70-2 |
|---|---|
| SMILES | CC1=C2C(=CC(=CC(=O)C2=C(O1)C)C3=CC=CS3)OC(=O)C4=CC=CC=C4 |
Product Overview
1,3-dimethyl-4-oxo-6-(thiophen-2-yl)-4H-cyclohepta[c]furan-8-yl benzoate (CAS 903868-70-2), with molecular formula C22H16O4S and molecular weight 376.08 g/mol. IUPAC: (1,3-dimethyl-8-oxo-6-thiophen-2-ylcyclohepta[c]furan-4-yl) benzoate.
Chemical Property Profile of 1,3-dimethyl-4-oxo-6-(thiophen-2-yl)-4H-cyclohepta[c]furan-8-yl benzoate
Property Insights of 1,3-dimethyl-4-oxo-6-(thiophen-2-yl)-4H-cyclohepta[c]furan-8-yl benzoate
The XLogP value of 5.35754 indicates that 1,3-dimethyl-4-oxo-6-(thiophen-2-yl)-4H-cyclohepta[c]furan-8-yl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.51 Ų, 1,3-dimethyl-4-oxo-6-(thiophen-2-yl)-4H-cyclohepta[c]furan-8-yl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-dimethyl-4-oxo-6-(thiophen-2-yl)-4H-cyclohepta[c]furan-8-yl benzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-dimethyl-4-oxo-6-(thiophen-2-yl)-4H-cyclohepta[c]furan-8-yl benzoate?
The CAS number of 1,3-dimethyl-4-oxo-6-(thiophen-2-yl)-4H-cyclohepta[c]furan-8-yl benzoate is 903868-70-2.
What is the molecular formula of 1,3-dimethyl-4-oxo-6-(thiophen-2-yl)-4H-cyclohepta[c]furan-8-yl benzoate?
The molecular formula of 1,3-dimethyl-4-oxo-6-(thiophen-2-yl)-4H-cyclohepta[c]furan-8-yl benzoate is C22H16O4S.
What is the molecular weight of 1,3-dimethyl-4-oxo-6-(thiophen-2-yl)-4H-cyclohepta[c]furan-8-yl benzoate?
The molecular weight of 1,3-dimethyl-4-oxo-6-(thiophen-2-yl)-4H-cyclohepta[c]furan-8-yl benzoate is 376.08 g/mol.
Where can I buy 1,3-dimethyl-4-oxo-6-(thiophen-2-yl)-4H-cyclohepta[c]furan-8-yl benzoate?
You can request a quote for 1,3-dimethyl-4-oxo-6-(thiophen-2-yl)-4H-cyclohepta[c]furan-8-yl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-dimethyl-4-oxo-6-(thiophen-2-yl)-4H-cyclohepta[c]furan-8-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-4-oxo-6-(thiophen-2-yl)-4H-cyclohepta[c]furan-8-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.