Kalihinene
TL;DR: Kalihinene (CAS 126622-61-5) is a chemical compound with molecular formula C22H32N2O and molecular weight 340.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R)-2-[(1R,4R,4aS,8aR)-4-isocyano-4,7-dimethyl-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-1-yl]-5-(2-isocyanopropan-2-yl)-2-methyloxolane
Also Known As: Kalihinene, (2S,5R)-2-[(1R,4R,4aS,8aR)-4-isocyano-4,7-dimethyl-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-1-yl]-5-(2-isocyanopropan-2-yl)-2-methyloxolane, (2S,5R)-2-((1R,4R,4aS,8aR)-4-isocyano-4,7-dimethyl-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-1-yl)-5-(2-isocyanopropan-2-yl)-2-methyloxolane, (2S,5R)-2-[(1R,4R,4aS,8aR)-4-Isocyano-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]-5-(2-isocyanopropan-2-yl)-2-methyloxolane, 2-(4-Isocyano-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl)-5-(2-isocyanopropan-2-yl)-2-methyloxolane
| Molecular Formula | C22H32N2O |
|---|---|
| Molecular Weight | 340.25 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 18.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.25146 |
| Heavy Atoms | 25 |
| Complexity | 675.0 |
Chemical Identifiers
| CAS Number | 126622-61-5 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@H](CC1)[C@](CC[C@H]2[C@@]3(CC[C@@H](O3)C(C)(C)[N+]#[C-])C)(C)[N+]#[C-] |
| InChIKey | WSPJFMZOFNQTAT-NBIPDHRESA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Kalihinene (CAS 126622-61-5), with molecular formula C22H32N2O and molecular weight 340.25 g/mol. IUPAC: (2S,5R)-2-[(1R,4R,4aS,8aR)-4-isocyano-4,7-dimethyl-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-1-yl]-5-(2-isocyanopropan-2-yl)-2-methyloxolane.
Chemical Property Profile of Kalihinene
Property Insights of Kalihinene
The XLogP value of 3.3 indicates that Kalihinene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.0 Ų, Kalihinene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Kalihinene has 0 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 Kalihinene?
The CAS number of Kalihinene is 126622-61-5.
What is the molecular formula of Kalihinene?
The molecular formula of Kalihinene is C22H32N2O.
What is the molecular weight of Kalihinene?
The molecular weight of Kalihinene is 340.25 g/mol.
Where can I buy Kalihinene?
You can request a quote for Kalihinene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kalihinene?
Yes, KEHONG BIO provides custom synthesis services for Kalihinene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.