六氢-1H-氮杂环庚烷-1-丁腈
TL;DR: 六氢-1H-氮杂环庚烷-1-丁腈 (CAS 3194-43-2) is a chemical compound with molecular formula C10H18N2 and molecular weight 166.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
六氢-1H-氮杂环庚烷-1-丁腈
4-(azepan-1-yl)butanenitrile
Also Known As: 4-(azepan-1-yl)butanenitrile, Butyronitrile, 1-(hexahydro-1H-azepin-1-yl)-, 4-HEXAMETHYLENEIMINOBUTYRONITRILE, 4-(Hexamethyleneimino)butyronitrile, 1H-Azepine-1-butyronitrile, hexahydro-
| Molecular Formula | C10H18N2 |
|---|---|
| Molecular Weight | 166.15 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.147 |
| Heavy Atoms | 12 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 3194-43-2 |
|---|---|
| SMILES | C1CCCN(CC1)CCCC#N |
| InChIKey | OQPSAQBHEQYYMJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
六氢-1H-氮杂环庚烷-1-丁腈 (CAS 3194-43-2), with molecular formula C10H18N2 and molecular weight 166.15 g/mol. IUPAC: 4-(azepan-1-yl)butanenitrile.
Chemical Property Profile of 六氢-1H-氮杂环庚烷-1-丁腈
Property Insights of 六氢-1H-氮杂环庚烷-1-丁腈
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 六氢-1H-氮杂环庚烷-1-丁腈. With a topological polar surface area (TPSA) of 27.0 Ų, 六氢-1H-氮杂环庚烷-1-丁腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 六氢-1H-氮杂环庚烷-1-丁腈 has 0 hydrogen bond donor(s) and 2 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 六氢-1H-氮杂环庚烷-1-丁腈?
The CAS number of 六氢-1H-氮杂环庚烷-1-丁腈 is 3194-43-2.
What is the molecular formula of 六氢-1H-氮杂环庚烷-1-丁腈?
The molecular formula of 六氢-1H-氮杂环庚烷-1-丁腈 is C10H18N2.
What is the molecular weight of 六氢-1H-氮杂环庚烷-1-丁腈?
The molecular weight of 六氢-1H-氮杂环庚烷-1-丁腈 is 166.15 g/mol.
Where can I buy 六氢-1H-氮杂环庚烷-1-丁腈?
You can request a quote for 六氢-1H-氮杂环庚烷-1-丁腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 六氢-1H-氮杂环庚烷-1-丁腈?
Yes, KEHONG BIO provides custom synthesis services for 六氢-1H-氮杂环庚烷-1-丁腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.