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3-双环[2.2.1]庚-2-基-2-丁烯腈
TL;DR: 3-双环[2.2.1]庚-2-基-2-丁烯腈 (CAS 72928-07-5) is a chemical compound with molecular formula C11H15N and molecular weight 161.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-双环[2.2.1]庚-2-基-2-丁烯腈
3-(2-bicyclo[2.2.1]heptanyl)but-2-enenitrile
Also Known As: 2-Butenenitrile, 3-bicyclo[2.2.1]hept-2-yl-, 2-Butenenitrile,3-bicyclo[2.2.1]hept-2-yl-, 2-Butenenitrile, 3-bicyclo(2.2.1)hept-2-yl-, 3-Bicyclo(2.2.1)hept-2-yl-2-butenenitrile, 3-BICYCLO[2.2.1]HEPT-2-YL-2-BUTENENITRILE
| Molecular Formula | C11H15N |
|---|---|
| Molecular Weight | 161.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 161.12045 |
| Heavy Atoms | 12 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 72928-07-5 |
|---|---|
| SMILES | CC(=CC#N)C1CC2CCC1C2 |
| InChIKey | MABXILJZMXOERV-UHFFFAOYSA-N |
Product Overview
3-双环[2.2.1]庚-2-基-2-丁烯腈 (CAS 72928-07-5), with molecular formula C11H15N and molecular weight 161.12 g/mol. IUPAC: 3-(2-bicyclo[2.2.1]heptanyl)but-2-enenitrile.
Chemical Property Profile of 3-双环[2.2.1]庚-2-基-2-丁烯腈
Property Insights of 3-双环[2.2.1]庚-2-基-2-丁烯腈
The XLogP value of 3.3 indicates that 3-双环[2.2.1]庚-2-基-2-丁烯腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 3-双环[2.2.1]庚-2-基-2-丁烯腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-双环[2.2.1]庚-2-基-2-丁烯腈 has 0 hydrogen bond donor(s) and 1 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-双环[2.2.1]庚-2-基-2-丁烯腈?
The CAS number of 3-双环[2.2.1]庚-2-基-2-丁烯腈 is 72928-07-5.
What is the molecular formula of 3-双环[2.2.1]庚-2-基-2-丁烯腈?
The molecular formula of 3-双环[2.2.1]庚-2-基-2-丁烯腈 is C11H15N.
What is the molecular weight of 3-双环[2.2.1]庚-2-基-2-丁烯腈?
The molecular weight of 3-双环[2.2.1]庚-2-基-2-丁烯腈 is 161.12 g/mol.
Where can I buy 3-双环[2.2.1]庚-2-基-2-丁烯腈?
You can request a quote for 3-双环[2.2.1]庚-2-基-2-丁烯腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-双环[2.2.1]庚-2-基-2-丁烯腈?
Yes, KEHONG BIO provides custom synthesis services for 3-双环[2.2.1]庚-2-基-2-丁烯腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.