6-thioxo-3,4,5,6-tetrahydro-2H-1,4-ethano-1,5-naphthyridine-7-carbonitrile
TL;DR: 6-thioxo-3,4,5,6-tetrahydro-2H-1,4-ethano-1,5-naphthyridine-7-carbonitrile (CAS 125366-05-4) is a chemical compound with molecular formula C11H11N3S and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-sulfanylidene-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3-diene-4-carbonitrile
Also Known As: 6-thioxo-3,4,5,6-tetrahydro-2H-1,4-ethano-1,5-naphthyridine-7-carbonitrile, 3-cyano-5,8-ethano-5,6,7,8-tetrahydro-1,5-naphthyridine-2(1h)-thione, 5-thioxo-1,6-diazatricyclo[6.2.2.0<2,7>]dodeca-2(7),3-diene-4-carbonitrile
| Molecular Formula | C11H11N3S |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 2.31327 |
| Topological Polar Surface Area | 42.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 217.06737 |
| Heavy Atoms | 15 |
| Complexity | 503.5448 |
Chemical Identifiers
| CAS Number | 125366-05-4 |
|---|---|
| SMILES | C1CN2CCC1C3=C2C=C(C(=S)N3)C#N |
Product Overview
6-thioxo-3,4,5,6-tetrahydro-2H-1,4-ethano-1,5-naphthyridine-7-carbonitrile (CAS 125366-05-4), with molecular formula C11H11N3S and molecular weight 217.07 g/mol. IUPAC: 5-sulfanylidene-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3-diene-4-carbonitrile.
Chemical Property Profile of 6-thioxo-3,4,5,6-tetrahydro-2H-1,4-ethano-1,5-naphthyridine-7-carbonitrile
Property Insights of 6-thioxo-3,4,5,6-tetrahydro-2H-1,4-ethano-1,5-naphthyridine-7-carbonitrile
The XLogP value of 2.31327 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-thioxo-3,4,5,6-tetrahydro-2H-1,4-ethano-1,5-naphthyridine-7-carbonitrile. With a topological polar surface area (TPSA) of 42.82 Ų, 6-thioxo-3,4,5,6-tetrahydro-2H-1,4-ethano-1,5-naphthyridine-7-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-thioxo-3,4,5,6-tetrahydro-2H-1,4-ethano-1,5-naphthyridine-7-carbonitrile has 1 hydrogen bond donor(s) and 3 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 6-thioxo-3,4,5,6-tetrahydro-2H-1,4-ethano-1,5-naphthyridine-7-carbonitrile?
The CAS number of 6-thioxo-3,4,5,6-tetrahydro-2H-1,4-ethano-1,5-naphthyridine-7-carbonitrile is 125366-05-4.
What is the molecular formula of 6-thioxo-3,4,5,6-tetrahydro-2H-1,4-ethano-1,5-naphthyridine-7-carbonitrile?
The molecular formula of 6-thioxo-3,4,5,6-tetrahydro-2H-1,4-ethano-1,5-naphthyridine-7-carbonitrile is C11H11N3S.
What is the molecular weight of 6-thioxo-3,4,5,6-tetrahydro-2H-1,4-ethano-1,5-naphthyridine-7-carbonitrile?
The molecular weight of 6-thioxo-3,4,5,6-tetrahydro-2H-1,4-ethano-1,5-naphthyridine-7-carbonitrile is 217.07 g/mol.
Where can I buy 6-thioxo-3,4,5,6-tetrahydro-2H-1,4-ethano-1,5-naphthyridine-7-carbonitrile?
You can request a quote for 6-thioxo-3,4,5,6-tetrahydro-2H-1,4-ethano-1,5-naphthyridine-7-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-thioxo-3,4,5,6-tetrahydro-2H-1,4-ethano-1,5-naphthyridine-7-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-thioxo-3,4,5,6-tetrahydro-2H-1,4-ethano-1,5-naphthyridine-7-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.