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Bicyclo[2.2.1]heptane-2-carbonitrile, 3,5-dimethyl-
TL;DR: Bicyclo[2.2.1]heptane-2-carbonitrile, 3,5-dimethyl- (CAS 104516-98-5) is a chemical compound with molecular formula C10H15N and molecular weight 149.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethylbicyclo[2.2.1]heptane-2-carbonitrile
Also Known As: 3,5-dimethylbicyclo[2.2.1]heptane-2-carbonitrile, Bicyclo(2.2.1)heptane-2-carbonitrile, 3,5-dimethyl-, Bicyclo[2.2.1]heptane-2-carbonitrile, 3,5-dimethyl-, J1.552.312C, RefChem:568307
| Molecular Formula | C10H15N |
|---|---|
| Molecular Weight | 149.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 149.12045 |
| Heavy Atoms | 11 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 104516-98-5 |
|---|---|
| SMILES | CC1CC2CC1C(C2C#N)C |
| InChIKey | ATDWYOCIMWIYAC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bicyclo[2.2.1]heptane-2-carbonitrile, 3,5-dimethyl- (CAS 104516-98-5), with molecular formula C10H15N and molecular weight 149.12 g/mol. IUPAC: 3,5-dimethylbicyclo[2.2.1]heptane-2-carbonitrile.
Chemical Property Profile of Bicyclo[2.2.1]heptane-2-carbonitrile, 3,5-dimethyl-
Property Insights of Bicyclo[2.2.1]heptane-2-carbonitrile, 3,5-dimethyl-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo[2.2.1]heptane-2-carbonitrile, 3,5-dimethyl-. With a topological polar surface area (TPSA) of 23.8 Ų, Bicyclo[2.2.1]heptane-2-carbonitrile, 3,5-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo[2.2.1]heptane-2-carbonitrile, 3,5-dimethyl- 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 Bicyclo[2.2.1]heptane-2-carbonitrile, 3,5-dimethyl-?
The CAS number of Bicyclo[2.2.1]heptane-2-carbonitrile, 3,5-dimethyl- is 104516-98-5.
What is the molecular formula of Bicyclo[2.2.1]heptane-2-carbonitrile, 3,5-dimethyl-?
The molecular formula of Bicyclo[2.2.1]heptane-2-carbonitrile, 3,5-dimethyl- is C10H15N.
What is the molecular weight of Bicyclo[2.2.1]heptane-2-carbonitrile, 3,5-dimethyl-?
The molecular weight of Bicyclo[2.2.1]heptane-2-carbonitrile, 3,5-dimethyl- is 149.12 g/mol.
Where can I buy Bicyclo[2.2.1]heptane-2-carbonitrile, 3,5-dimethyl-?
You can request a quote for Bicyclo[2.2.1]heptane-2-carbonitrile, 3,5-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo[2.2.1]heptane-2-carbonitrile, 3,5-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo[2.2.1]heptane-2-carbonitrile, 3,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.