1-氮杂双环(2.2.2)辛烷-3-甲腈
TL;DR: 1-氮杂双环(2.2.2)辛烷-3-甲腈 (CAS 604803-77-2) is a chemical compound with molecular formula C8H12N2 and molecular weight 136.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-氮杂双环(2.2.2)辛烷-3-甲腈
1-azabicyclo[2.2.2]octane-3-carbonitrile
Also Known As: quinuclidine-3-carbonitrile, 1-azabicyclo[2.2.2]octane-3-carbonitrile, 3-cyanoquinuclidine, 3-cyano-quinuclidine, quinuclidine, 3-cyano-
| Molecular Formula | C8H12N2 |
|---|---|
| Molecular Weight | 136.10 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.10005 |
| Heavy Atoms | 10 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 604803-77-2 |
|---|---|
| SMILES | C1CN2CCC1C(C2)C#N |
| InChIKey | ICSMHHPNBLZOLB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-氮杂双环(2.2.2)辛烷-3-甲腈 (CAS 604803-77-2), with molecular formula C8H12N2 and molecular weight 136.10 g/mol. IUPAC: 1-azabicyclo[2.2.2]octane-3-carbonitrile.
Chemical Property Profile of 1-氮杂双环(2.2.2)辛烷-3-甲腈
Property Insights of 1-氮杂双环(2.2.2)辛烷-3-甲腈
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-氮杂双环(2.2.2)辛烷-3-甲腈. With a topological polar surface area (TPSA) of 27.0 Ų, 1-氮杂双环(2.2.2)辛烷-3-甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-氮杂双环(2.2.2)辛烷-3-甲腈 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 1-氮杂双环(2.2.2)辛烷-3-甲腈?
The CAS number of 1-氮杂双环(2.2.2)辛烷-3-甲腈 is 604803-77-2.
What is the molecular formula of 1-氮杂双环(2.2.2)辛烷-3-甲腈?
The molecular formula of 1-氮杂双环(2.2.2)辛烷-3-甲腈 is C8H12N2.
What is the molecular weight of 1-氮杂双环(2.2.2)辛烷-3-甲腈?
The molecular weight of 1-氮杂双环(2.2.2)辛烷-3-甲腈 is 136.10 g/mol.
Where can I buy 1-氮杂双环(2.2.2)辛烷-3-甲腈?
You can request a quote for 1-氮杂双环(2.2.2)辛烷-3-甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-氮杂双环(2.2.2)辛烷-3-甲腈?
Yes, KEHONG BIO provides custom synthesis services for 1-氮杂双环(2.2.2)辛烷-3-甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.