![(E)-2-((azepan-1-ylmethylene)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile structure](/static/products/378/378756-90-2.png)
(E)-2-((azepan-1-ylmethylene)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
TL;DR: (E)-2-((azepan-1-ylmethylene)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile (CAS 378756-90-2) is a chemical compound with molecular formula C17H23N3S and molecular weight 301.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-azepan-1-ylmethylideneamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Also Known As: (E)-2-((azepan-1-ylmethylene)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile, 2-[(1-AZEPANYLMETHYLENE)AMINO]-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHEN-3-YL CYANIDE, 2-[(E)-azepan-1-ylmethylideneamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile, 2-{[(E)-azepan-1-ylmethylidene]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
| Molecular Formula | C17H23N3S |
|---|---|
| Molecular Weight | 301.16 g/mol |
| LogP | 4.42448 |
| Topological Polar Surface Area | 39.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.16125 |
| Heavy Atoms | 21 |
| Complexity | 545.1168 |
Chemical Identifiers
| CAS Number | 378756-90-2 |
|---|---|
| SMILES | C1CCCN(CC1)/C=N/C2=C(C3=C(S2)CCCCC3)C#N |
Product Overview
(E)-2-((azepan-1-ylmethylene)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile (CAS 378756-90-2), with molecular formula C17H23N3S and molecular weight 301.16 g/mol. IUPAC: 2-[(E)-azepan-1-ylmethylideneamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile.
Chemical Property Profile of (E)-2-((azepan-1-ylmethylene)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Property Insights of (E)-2-((azepan-1-ylmethylene)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
The XLogP value of 4.42448 indicates that (E)-2-((azepan-1-ylmethylene)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.39 Ų, (E)-2-((azepan-1-ylmethylene)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-((azepan-1-ylmethylene)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile has 0 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 (E)-2-((azepan-1-ylmethylene)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile?
The CAS number of (E)-2-((azepan-1-ylmethylene)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile is 378756-90-2.
What is the molecular formula of (E)-2-((azepan-1-ylmethylene)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile?
The molecular formula of (E)-2-((azepan-1-ylmethylene)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile is C17H23N3S.
What is the molecular weight of (E)-2-((azepan-1-ylmethylene)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile?
The molecular weight of (E)-2-((azepan-1-ylmethylene)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile is 301.16 g/mol.
Where can I buy (E)-2-((azepan-1-ylmethylene)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile?
You can request a quote for (E)-2-((azepan-1-ylmethylene)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[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 (E)-2-((azepan-1-ylmethylene)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((azepan-1-ylmethylene)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.