![3-Butyl-2,7-diazabicyclo[4.1.0]hept-4-ene-7-carbonitrile structure](/static/products/6733/67334-83-2.webp)
3-Butyl-2,7-diazabicyclo[4.1.0]hept-4-ene-7-carbonitrile
TL;DR: 3-Butyl-2,7-diazabicyclo[4.1.0]hept-4-ene-7-carbonitrile (CAS 67334-83-2) is a chemical compound with molecular formula C10H15N3 and molecular weight 177.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-2,7-diazabicyclo[4.1.0]hept-4-ene-7-carbonitrile
Also Known As: 3-butyl-2,7-diazabicyclo[4.1.0]hept-4-ene-7-carbonitrile, 3-butyl-7-cyano-2,7-diazabicyclo[4.1.0]hept-4-ene, I14-20787, 4-butyl-5,7-diazabicyclo[4.1.0]hept-2-ene-7-carbonitrile
| Molecular Formula | C10H15N3 |
|---|---|
| Molecular Weight | 177.13 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.1266 |
| Heavy Atoms | 13 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 67334-83-2 |
|---|---|
| SMILES | CCCCC1C=CC2C(N1)N2C#N |
| InChIKey | WLXUJDFNVYZDOE-UHFFFAOYSA-N |
Product Overview
3-Butyl-2,7-diazabicyclo[4.1.0]hept-4-ene-7-carbonitrile (CAS 67334-83-2), with molecular formula C10H15N3 and molecular weight 177.13 g/mol. IUPAC: 3-butyl-2,7-diazabicyclo[4.1.0]hept-4-ene-7-carbonitrile.
Chemical Property Profile of 3-Butyl-2,7-diazabicyclo[4.1.0]hept-4-ene-7-carbonitrile
Property Insights of 3-Butyl-2,7-diazabicyclo[4.1.0]hept-4-ene-7-carbonitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butyl-2,7-diazabicyclo[4.1.0]hept-4-ene-7-carbonitrile. With a topological polar surface area (TPSA) of 38.8 Ų, 3-Butyl-2,7-diazabicyclo[4.1.0]hept-4-ene-7-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butyl-2,7-diazabicyclo[4.1.0]hept-4-ene-7-carbonitrile 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 3-Butyl-2,7-diazabicyclo[4.1.0]hept-4-ene-7-carbonitrile?
The CAS number of 3-Butyl-2,7-diazabicyclo[4.1.0]hept-4-ene-7-carbonitrile is 67334-83-2.
What is the molecular formula of 3-Butyl-2,7-diazabicyclo[4.1.0]hept-4-ene-7-carbonitrile?
The molecular formula of 3-Butyl-2,7-diazabicyclo[4.1.0]hept-4-ene-7-carbonitrile is C10H15N3.
What is the molecular weight of 3-Butyl-2,7-diazabicyclo[4.1.0]hept-4-ene-7-carbonitrile?
The molecular weight of 3-Butyl-2,7-diazabicyclo[4.1.0]hept-4-ene-7-carbonitrile is 177.13 g/mol.
Where can I buy 3-Butyl-2,7-diazabicyclo[4.1.0]hept-4-ene-7-carbonitrile?
You can request a quote for 3-Butyl-2,7-diazabicyclo[4.1.0]hept-4-ene-7-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butyl-2,7-diazabicyclo[4.1.0]hept-4-ene-7-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Butyl-2,7-diazabicyclo[4.1.0]hept-4-ene-7-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.