N-(1-pyridin-2-ylbutylideneamino)azepane-1-carbothioamide
TL;DR: N-(1-pyridin-2-ylbutylideneamino)azepane-1-carbothioamide (CAS 86919-62-2) is a chemical compound with molecular formula C16H24N4S and molecular weight 304.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-pyridin-2-ylbutylideneamino)azepane-1-carbothioamide
Also Known As: N-(1-pyridin-2-ylbutylideneamino)azepane-1-carbothioamide, 1H-Azepine-1-carbothioic acid, hexahydro-, [1-(2-pyridinyl)b, N-[1-(Pyridin-2-yl)butylidene]azepane-1-carbohydrazonothioic acid
| Molecular Formula | C16H24N4S |
|---|---|
| Molecular Weight | 304.17 g/mol |
| LogP | 3.3363 |
| Topological Polar Surface Area | 40.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.17218 |
| Heavy Atoms | 21 |
| Complexity | 464.42514 |
Chemical Identifiers
| CAS Number | 86919-62-2 |
|---|---|
| SMILES | CCCC(=NNC(=S)N1CCCCCC1)C2=CC=CC=N2 |
Product Overview
N-(1-pyridin-2-ylbutylideneamino)azepane-1-carbothioamide (CAS 86919-62-2), with molecular formula C16H24N4S and molecular weight 304.17 g/mol. IUPAC: N-(1-pyridin-2-ylbutylideneamino)azepane-1-carbothioamide.
Chemical Property Profile of N-(1-pyridin-2-ylbutylideneamino)azepane-1-carbothioamide
Property Insights of N-(1-pyridin-2-ylbutylideneamino)azepane-1-carbothioamide
The XLogP value of 3.3363 indicates that N-(1-pyridin-2-ylbutylideneamino)azepane-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.52 Ų, N-(1-pyridin-2-ylbutylideneamino)azepane-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-pyridin-2-ylbutylideneamino)azepane-1-carbothioamide 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 N-(1-pyridin-2-ylbutylideneamino)azepane-1-carbothioamide?
The CAS number of N-(1-pyridin-2-ylbutylideneamino)azepane-1-carbothioamide is 86919-62-2.
What is the molecular formula of N-(1-pyridin-2-ylbutylideneamino)azepane-1-carbothioamide?
The molecular formula of N-(1-pyridin-2-ylbutylideneamino)azepane-1-carbothioamide is C16H24N4S.
What is the molecular weight of N-(1-pyridin-2-ylbutylideneamino)azepane-1-carbothioamide?
The molecular weight of N-(1-pyridin-2-ylbutylideneamino)azepane-1-carbothioamide is 304.17 g/mol.
Where can I buy N-(1-pyridin-2-ylbutylideneamino)azepane-1-carbothioamide?
You can request a quote for N-(1-pyridin-2-ylbutylideneamino)azepane-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-pyridin-2-ylbutylideneamino)azepane-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-pyridin-2-ylbutylideneamino)azepane-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.