(+)-Axisonitrile 3
TL;DR: (+)-Axisonitrile 3 (CAS 59633-83-9) is a chemical compound with molecular formula C16H25N and molecular weight 231.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6S,9R,10S)-10-isocyano-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-ene
Also Known As: Axisonitrile 3, (+)-Axisonitrile 3, Axisonitrile 3 [C16H25N], (6S,9R,10S)-10-isocyano-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-ene, 6-Isocyano-2,10-dimethyl-7-(propan-2-yl)spiro[4.5]dec-1-ene
| Molecular Formula | C16H25N |
|---|---|
| Molecular Weight | 231.20 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.1987 |
| Heavy Atoms | 17 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 59633-83-9 |
|---|---|
| SMILES | C[C@H]1CC[C@@H]([C@@H](C12CCC(=C2)C)[N+]#[C-])C(C)C |
| InChIKey | CLJZNXABBGEKKI-QGPPMGRFSA-N |
Product Overview
(+)-Axisonitrile 3 (CAS 59633-83-9), with molecular formula C16H25N and molecular weight 231.20 g/mol. IUPAC: (6S,9R,10S)-10-isocyano-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-ene.
Chemical Property Profile of (+)-Axisonitrile 3
Property Insights of (+)-Axisonitrile 3
The XLogP value of 4.2 indicates that (+)-Axisonitrile 3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.4 Ų, (+)-Axisonitrile 3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+)-Axisonitrile 3 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 (+)-Axisonitrile 3?
The CAS number of (+)-Axisonitrile 3 is 59633-83-9.
What is the molecular formula of (+)-Axisonitrile 3?
The molecular formula of (+)-Axisonitrile 3 is C16H25N.
What is the molecular weight of (+)-Axisonitrile 3?
The molecular weight of (+)-Axisonitrile 3 is 231.20 g/mol.
Where can I buy (+)-Axisonitrile 3?
You can request a quote for (+)-Axisonitrile 3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+)-Axisonitrile 3?
Yes, KEHONG BIO provides custom synthesis services for (+)-Axisonitrile 3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.