![4-(9,10-Dihydro-10-oxo-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)tetrahydro-1-methyl-2H-thiopyranium structure](/static/products/7407/740769-05-5.webp)
4-(9,10-Dihydro-10-oxo-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)tetrahydro-1-methyl-2H-thiopyranium
TL;DR: 4-(9,10-Dihydro-10-oxo-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)tetrahydro-1-methyl-2H-thiopyranium (CAS 740769-05-5) is a chemical compound with molecular formula C19H19OS2+ and molecular weight 327.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-methylthian-1-ium-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one
Also Known As: 4-(9,10-Dihydro-10-oxo-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)tetrahydro-1-methyl-2H-thiopyranium
| Molecular Formula | C19H19OS2+ |
|---|---|
| Molecular Weight | 327.09 g/mol |
| LogP | 4.3307 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 327.08774 |
| Heavy Atoms | 22 |
| Complexity | 759.2473 |
Chemical Identifiers
| CAS Number | 740769-05-5 |
|---|---|
| SMILES | C[S+]1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1 |
Product Overview
4-(9,10-Dihydro-10-oxo-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)tetrahydro-1-methyl-2H-thiopyranium (CAS 740769-05-5), with molecular formula C19H19OS2+ and molecular weight 327.09 g/mol. IUPAC: 2-(1-methylthian-1-ium-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one.
Chemical Property Profile of 4-(9,10-Dihydro-10-oxo-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)tetrahydro-1-methyl-2H-thiopyranium
Property Insights of 4-(9,10-Dihydro-10-oxo-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)tetrahydro-1-methyl-2H-thiopyranium
The XLogP value of 4.3307 indicates that 4-(9,10-Dihydro-10-oxo-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)tetrahydro-1-methyl-2H-thiopyranium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 4-(9,10-Dihydro-10-oxo-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)tetrahydro-1-methyl-2H-thiopyranium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(9,10-Dihydro-10-oxo-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)tetrahydro-1-methyl-2H-thiopyranium has 0 hydrogen bond donor(s) and 2 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-(9,10-Dihydro-10-oxo-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)tetrahydro-1-methyl-2H-thiopyranium?
The CAS number of 4-(9,10-Dihydro-10-oxo-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)tetrahydro-1-methyl-2H-thiopyranium is 740769-05-5.
What is the molecular formula of 4-(9,10-Dihydro-10-oxo-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)tetrahydro-1-methyl-2H-thiopyranium?
The molecular formula of 4-(9,10-Dihydro-10-oxo-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)tetrahydro-1-methyl-2H-thiopyranium is C19H19OS2+.
What is the molecular weight of 4-(9,10-Dihydro-10-oxo-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)tetrahydro-1-methyl-2H-thiopyranium?
The molecular weight of 4-(9,10-Dihydro-10-oxo-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)tetrahydro-1-methyl-2H-thiopyranium is 327.09 g/mol.
Where can I buy 4-(9,10-Dihydro-10-oxo-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)tetrahydro-1-methyl-2H-thiopyranium?
You can request a quote for 4-(9,10-Dihydro-10-oxo-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)tetrahydro-1-methyl-2H-thiopyranium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(9,10-Dihydro-10-oxo-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)tetrahydro-1-methyl-2H-thiopyranium?
Yes, KEHONG BIO provides custom synthesis services for 4-(9,10-Dihydro-10-oxo-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)tetrahydro-1-methyl-2H-thiopyranium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.