![N-[1-(Pyridin-2-yl)ethylidene]azepane-1-carbohydrazonothioic acid structure](/static/products/7155/71555-41-4.webp)
N-[1-(Pyridin-2-yl)ethylidene]azepane-1-carbohydrazonothioic acid
TL;DR: N-[1-(Pyridin-2-yl)ethylidene]azepane-1-carbohydrazonothioic acid (CAS 71555-41-4) is a chemical compound with molecular formula C14H20N4S and molecular weight 276.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-pyridin-2-ylethylideneamino)azepane-1-carbothioamide
Also Known As: NCI60_002741, N-(1-pyridin-2-ylethylideneamino)azepane-1-carbothioamide, N-[(E)-1-pyridin-2-ylethylideneamino]azepane-1-carbothioamid, N-[1-(Pyridin-2-yl)ethylidene]azepane-1-carbohydrazonothioic acid, HEXAHYDRO-1H-AZEPINE-1-CARBOTHIOC ACID, [1-(2-PYRIDINYL)ETHYLIDENE]HYDRAZIDE
| Molecular Formula | C14H20N4S |
|---|---|
| Molecular Weight | 276.14 g/mol |
| LogP | 2.5561 |
| Topological Polar Surface Area | 40.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.14087 |
| Heavy Atoms | 19 |
| Complexity | 436.019 |
Chemical Identifiers
| CAS Number | 71555-41-4 |
|---|---|
| SMILES | CC(=NNC(=S)N1CCCCCC1)C2=CC=CC=N2 |
Product Overview
N-[1-(Pyridin-2-yl)ethylidene]azepane-1-carbohydrazonothioic acid (CAS 71555-41-4), with molecular formula C14H20N4S and molecular weight 276.14 g/mol. IUPAC: N-(1-pyridin-2-ylethylideneamino)azepane-1-carbothioamide.
Chemical Property Profile of N-[1-(Pyridin-2-yl)ethylidene]azepane-1-carbohydrazonothioic acid
Property Insights of N-[1-(Pyridin-2-yl)ethylidene]azepane-1-carbohydrazonothioic acid
The XLogP value of 2.5561 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[1-(Pyridin-2-yl)ethylidene]azepane-1-carbohydrazonothioic acid. With a topological polar surface area (TPSA) of 40.52 Ų, N-[1-(Pyridin-2-yl)ethylidene]azepane-1-carbohydrazonothioic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[1-(Pyridin-2-yl)ethylidene]azepane-1-carbohydrazonothioic acid 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-yl)ethylidene]azepane-1-carbohydrazonothioic acid?
The CAS number of N-[1-(Pyridin-2-yl)ethylidene]azepane-1-carbohydrazonothioic acid is 71555-41-4.
What is the molecular formula of N-[1-(Pyridin-2-yl)ethylidene]azepane-1-carbohydrazonothioic acid?
The molecular formula of N-[1-(Pyridin-2-yl)ethylidene]azepane-1-carbohydrazonothioic acid is C14H20N4S.
What is the molecular weight of N-[1-(Pyridin-2-yl)ethylidene]azepane-1-carbohydrazonothioic acid?
The molecular weight of N-[1-(Pyridin-2-yl)ethylidene]azepane-1-carbohydrazonothioic acid is 276.14 g/mol.
Where can I buy N-[1-(Pyridin-2-yl)ethylidene]azepane-1-carbohydrazonothioic acid?
You can request a quote for N-[1-(Pyridin-2-yl)ethylidene]azepane-1-carbohydrazonothioic acid 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-yl)ethylidene]azepane-1-carbohydrazonothioic acid?
Yes, KEHONG BIO provides custom synthesis services for N-[1-(Pyridin-2-yl)ethylidene]azepane-1-carbohydrazonothioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.