![3a,6,6-trimethyl-3-nitro-9-(p-tolyl)-3,3a,6,7,9,9a-hexahydro-2H-thieno[3,2-b]chromen-8(5H)-one 1,1-dioxide structure](/static/products/459/459791-33-4.png)
3a,6,6-trimethyl-3-nitro-9-(p-tolyl)-3,3a,6,7,9,9a-hexahydro-2H-thieno[3,2-b]chromen-8(5H)-one 1,1-dioxide
TL;DR: 3a,6,6-trimethyl-3-nitro-9-(p-tolyl)-3,3a,6,7,9,9a-hexahydro-2H-thieno[3,2-b]chromen-8(5H)-one 1,1-dioxide (CAS 459791-33-4) is a chemical compound with molecular formula C21H25NO6S and molecular weight 419.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3a,6,6-trimethyl-9-(4-methylphenyl)-3-nitro-1,1-dioxo-2,3,5,7,9,9a-hexahydrothieno[3,2-b]chromen-8-one
Also Known As: 3a,6,6-trimethyl-3-nitro-9-(p-tolyl)-3,3a,6,7,9,9a-hexahydro-2H-thieno[3,2-b]chromen-8(5H)-one 1,1-dioxide, 3a,6,6-trimethyl-9-(4-methylphenyl)-3-nitro-1,1-dioxo-2,3,5,7,9,9a-hexahydrothieno[3,2-b]chromen-8-one, 3a,6,6-trimethyl-9-(4-methylphenyl)-3-nitro-2,3,3a,5,6,7,9,9a-octahydro-8H-thieno[3,2-b]chromen-8-one 1,1-dioxide, 7,11,11-trimethyl-2-(4-methylphenyl)-6-nitro-8-oxa-4-thiatricyclo[7.4.0.0<3,7> ]tridec-1(9)-ene-4,4,13-trione
| Molecular Formula | C21H25NO6S |
|---|---|
| Molecular Weight | 419.14 g/mol |
| LogP | 2.95302 |
| Topological Polar Surface Area | 103.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 419.14026 |
| Heavy Atoms | 29 |
| Complexity | 1039.4346 |
Chemical Identifiers
| CAS Number | 459791-33-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C3C(C(CS3(=O)=O)[N+](=O)[O-])(OC4=C2C(=O)CC(C4)(C)C)C |
Product Overview
3a,6,6-trimethyl-3-nitro-9-(p-tolyl)-3,3a,6,7,9,9a-hexahydro-2H-thieno[3,2-b]chromen-8(5H)-one 1,1-dioxide (CAS 459791-33-4), with molecular formula C21H25NO6S and molecular weight 419.14 g/mol. IUPAC: 3a,6,6-trimethyl-9-(4-methylphenyl)-3-nitro-1,1-dioxo-2,3,5,7,9,9a-hexahydrothieno[3,2-b]chromen-8-one.
Chemical Property Profile of 3a,6,6-trimethyl-3-nitro-9-(p-tolyl)-3,3a,6,7,9,9a-hexahydro-2H-thieno[3,2-b]chromen-8(5H)-one 1,1-dioxide
Property Insights of 3a,6,6-trimethyl-3-nitro-9-(p-tolyl)-3,3a,6,7,9,9a-hexahydro-2H-thieno[3,2-b]chromen-8(5H)-one 1,1-dioxide
The XLogP value of 2.95302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3a,6,6-trimethyl-3-nitro-9-(p-tolyl)-3,3a,6,7,9,9a-hexahydro-2H-thieno[3,2-b]chromen-8(5H)-one 1,1-dioxide. The TPSA of 103.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 3a,6,6-trimethyl-3-nitro-9-(p-tolyl)-3,3a,6,7,9,9a-hexahydro-2H-thieno[3,2-b]chromen-8(5H)-one 1,1-dioxide. Following Lipinski's Rule of Five, 3a,6,6-trimethyl-3-nitro-9-(p-tolyl)-3,3a,6,7,9,9a-hexahydro-2H-thieno[3,2-b]chromen-8(5H)-one 1,1-dioxide has 0 hydrogen bond donor(s) and 6 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 3a,6,6-trimethyl-3-nitro-9-(p-tolyl)-3,3a,6,7,9,9a-hexahydro-2H-thieno[3,2-b]chromen-8(5H)-one 1,1-dioxide?
The CAS number of 3a,6,6-trimethyl-3-nitro-9-(p-tolyl)-3,3a,6,7,9,9a-hexahydro-2H-thieno[3,2-b]chromen-8(5H)-one 1,1-dioxide is 459791-33-4.
What is the molecular formula of 3a,6,6-trimethyl-3-nitro-9-(p-tolyl)-3,3a,6,7,9,9a-hexahydro-2H-thieno[3,2-b]chromen-8(5H)-one 1,1-dioxide?
The molecular formula of 3a,6,6-trimethyl-3-nitro-9-(p-tolyl)-3,3a,6,7,9,9a-hexahydro-2H-thieno[3,2-b]chromen-8(5H)-one 1,1-dioxide is C21H25NO6S.
What is the molecular weight of 3a,6,6-trimethyl-3-nitro-9-(p-tolyl)-3,3a,6,7,9,9a-hexahydro-2H-thieno[3,2-b]chromen-8(5H)-one 1,1-dioxide?
The molecular weight of 3a,6,6-trimethyl-3-nitro-9-(p-tolyl)-3,3a,6,7,9,9a-hexahydro-2H-thieno[3,2-b]chromen-8(5H)-one 1,1-dioxide is 419.14 g/mol.
Where can I buy 3a,6,6-trimethyl-3-nitro-9-(p-tolyl)-3,3a,6,7,9,9a-hexahydro-2H-thieno[3,2-b]chromen-8(5H)-one 1,1-dioxide?
You can request a quote for 3a,6,6-trimethyl-3-nitro-9-(p-tolyl)-3,3a,6,7,9,9a-hexahydro-2H-thieno[3,2-b]chromen-8(5H)-one 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3a,6,6-trimethyl-3-nitro-9-(p-tolyl)-3,3a,6,7,9,9a-hexahydro-2H-thieno[3,2-b]chromen-8(5H)-one 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3a,6,6-trimethyl-3-nitro-9-(p-tolyl)-3,3a,6,7,9,9a-hexahydro-2H-thieno[3,2-b]chromen-8(5H)-one 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.