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7-甲基双环[2.2.2]辛-2-烯-8-甲腈
TL;DR: 7-甲基双环[2.2.2]辛-2-烯-8-甲腈 (CAS 114718-72-8) is a chemical compound with molecular formula C10H13N and molecular weight 147.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-甲基双环[2.2.2]辛-2-烯-8-甲腈
3-methylbicyclo[2.2.2]oct-5-ene-2-carbonitrile
Also Known As: 2-methylbicyclo[2.2.2]oct-5-ene-3-carbonitrile, 7-METHYLBICYCLO[2.2.2]OCT-2-ENE-8-CARBONITRILE, 3-METHYLBICYCLO[2.2.2]OCT-5-ENE-2-CARBONITRILE, Bicyclo(2.2.2)oct-5-ene-2-carbonitrile, 3-methyl-, (1alpha,2beta,3beta,4alpha)- (exo,exo)-, Bicyclo[2.2.2]oct-5-ene-2-carbonitrile,3-methyl-, (1R,2R,3S,4S)-rel-
| Molecular Formula | C10H13N |
|---|---|
| Molecular Weight | 147.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 147.1048 |
| Heavy Atoms | 11 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 114718-72-8 |
|---|---|
| SMILES | CC1C2CCC(C1C#N)C=C2 |
| InChIKey | KJIBOFBDMXTIGJ-UHFFFAOYSA-N |
Product Overview
7-甲基双环[2.2.2]辛-2-烯-8-甲腈 (CAS 114718-72-8), with molecular formula C10H13N and molecular weight 147.10 g/mol. IUPAC: 3-methylbicyclo[2.2.2]oct-5-ene-2-carbonitrile.
Chemical Property Profile of 7-甲基双环[2.2.2]辛-2-烯-8-甲腈
Property Insights of 7-甲基双环[2.2.2]辛-2-烯-8-甲腈
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-甲基双环[2.2.2]辛-2-烯-8-甲腈. With a topological polar surface area (TPSA) of 23.8 Ų, 7-甲基双环[2.2.2]辛-2-烯-8-甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-甲基双环[2.2.2]辛-2-烯-8-甲腈 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 7-甲基双环[2.2.2]辛-2-烯-8-甲腈?
The CAS number of 7-甲基双环[2.2.2]辛-2-烯-8-甲腈 is 114718-72-8.
What is the molecular formula of 7-甲基双环[2.2.2]辛-2-烯-8-甲腈?
The molecular formula of 7-甲基双环[2.2.2]辛-2-烯-8-甲腈 is C10H13N.
What is the molecular weight of 7-甲基双环[2.2.2]辛-2-烯-8-甲腈?
The molecular weight of 7-甲基双环[2.2.2]辛-2-烯-8-甲腈 is 147.10 g/mol.
Where can I buy 7-甲基双环[2.2.2]辛-2-烯-8-甲腈?
You can request a quote for 7-甲基双环[2.2.2]辛-2-烯-8-甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-甲基双环[2.2.2]辛-2-烯-8-甲腈?
Yes, KEHONG BIO provides custom synthesis services for 7-甲基双环[2.2.2]辛-2-烯-8-甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.