![2-(((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile structure](/static/products/799/799778-13-5.png)
2-(((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
TL;DR: 2-(((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile (CAS 799778-13-5) is a chemical compound with molecular formula C19H20N2O4S and molecular weight 372.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Also Known As: 2-(((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile, F1362-0047, 2-[({2,4-DIOXO-1,5-DIOXASPIRO[5.5]UNDECAN-3-YLIDENE}METHYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBONITRILE, 2-[(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, 2-[(8,10-dioxo-7,11-dioxaspiro[5.5]undecan-9-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
| Molecular Formula | C19H20N2O4S |
|---|---|
| Molecular Weight | 372.11 g/mol |
| LogP | 3.55478 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 372.11438 |
| Heavy Atoms | 26 |
| Complexity | 805.3275 |
Chemical Identifiers
| CAS Number | 799778-13-5 |
|---|---|
| SMILES | C1CCC2(CC1)OC(=O)C(=CNC3=C(C4=C(S3)CCCC4)C#N)C(=O)O2 |
Product Overview
2-(((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile (CAS 799778-13-5), with molecular formula C19H20N2O4S and molecular weight 372.11 g/mol. IUPAC: 2-[(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile.
Chemical Property Profile of 2-(((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
Property Insights of 2-(((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
The XLogP value of 3.55478 indicates that 2-(((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile. Following Lipinski's Rule of Five, 2-(((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile has 1 hydrogen bond donor(s) and 7 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 2-(((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile?
The CAS number of 2-(((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile is 799778-13-5.
What is the molecular formula of 2-(((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile?
The molecular formula of 2-(((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile is C19H20N2O4S.
What is the molecular weight of 2-(((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile?
The molecular weight of 2-(((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile is 372.11 g/mol.
Where can I buy 2-(((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile?
You can request a quote for 2-(((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.