1,4-Ethano-1H,3H-thieno(3,4-c)thiophene-3,6(4H)-dione, dihydro-7-butyl-
TL;DR: 1,4-Ethano-1H,3H-thieno(3,4-c)thiophene-3,6(4H)-dione, dihydro-7-butyl- (CAS 129679-47-6) is a chemical compound with molecular formula C12H16O2S2 and molecular weight 256.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-5,10-dithiatricyclo[5.3.0.04,8]decane-6,9-dione
Also Known As: 5-n-Butyl bis-thiololactone, 1,4-Ethano-1H,3H-thieno(3,4-c)thiophene-3,6(4H)-dione, dihydro-7-butyl-, 7-Butyltetrahydro-3H,6H-1,4-ethanothieno[3,4-c]thiophene-3,6-dione
| Molecular Formula | C12H16O2S2 |
|---|---|
| Molecular Weight | 256.06 g/mol |
| LogP | 2.7129 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.05917 |
| Heavy Atoms | 16 |
| Complexity | 339.91046 |
Chemical Identifiers
| CAS Number | 129679-47-6 |
|---|---|
| SMILES | CCCCC1CC2C3C(C1SC3=O)C(=O)S2 |
Product Overview
1,4-Ethano-1H,3H-thieno(3,4-c)thiophene-3,6(4H)-dione, dihydro-7-butyl- (CAS 129679-47-6), with molecular formula C12H16O2S2 and molecular weight 256.06 g/mol. IUPAC: 2-butyl-5,10-dithiatricyclo[5.3.0.04,8]decane-6,9-dione.
Chemical Property Profile of 1,4-Ethano-1H,3H-thieno(3,4-c)thiophene-3,6(4H)-dione, dihydro-7-butyl-
Property Insights of 1,4-Ethano-1H,3H-thieno(3,4-c)thiophene-3,6(4H)-dione, dihydro-7-butyl-
The XLogP value of 2.7129 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Ethano-1H,3H-thieno(3,4-c)thiophene-3,6(4H)-dione, dihydro-7-butyl-. With a topological polar surface area (TPSA) of 34.14 Ų, 1,4-Ethano-1H,3H-thieno(3,4-c)thiophene-3,6(4H)-dione, dihydro-7-butyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Ethano-1H,3H-thieno(3,4-c)thiophene-3,6(4H)-dione, dihydro-7-butyl- has 0 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 1,4-Ethano-1H,3H-thieno(3,4-c)thiophene-3,6(4H)-dione, dihydro-7-butyl-?
The CAS number of 1,4-Ethano-1H,3H-thieno(3,4-c)thiophene-3,6(4H)-dione, dihydro-7-butyl- is 129679-47-6.
What is the molecular formula of 1,4-Ethano-1H,3H-thieno(3,4-c)thiophene-3,6(4H)-dione, dihydro-7-butyl-?
The molecular formula of 1,4-Ethano-1H,3H-thieno(3,4-c)thiophene-3,6(4H)-dione, dihydro-7-butyl- is C12H16O2S2.
What is the molecular weight of 1,4-Ethano-1H,3H-thieno(3,4-c)thiophene-3,6(4H)-dione, dihydro-7-butyl-?
The molecular weight of 1,4-Ethano-1H,3H-thieno(3,4-c)thiophene-3,6(4H)-dione, dihydro-7-butyl- is 256.06 g/mol.
Where can I buy 1,4-Ethano-1H,3H-thieno(3,4-c)thiophene-3,6(4H)-dione, dihydro-7-butyl-?
You can request a quote for 1,4-Ethano-1H,3H-thieno(3,4-c)thiophene-3,6(4H)-dione, dihydro-7-butyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Ethano-1H,3H-thieno(3,4-c)thiophene-3,6(4H)-dione, dihydro-7-butyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Ethano-1H,3H-thieno(3,4-c)thiophene-3,6(4H)-dione, dihydro-7-butyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.