Kirkine
TL;DR: Kirkine (CAS 115994-31-5) is a chemical compound with molecular formula C16H19NO3 and molecular weight 273.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,15R,16R)-4-methoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,12-tetraene-5,15-diol
Also Known As: Kirkine, Fortucine, (+)-Kirkine, KST-1A0742, 10-Methoxy-3,12-didehydrogalanthan-1,9-diol
| Molecular Formula | C16H19NO3 |
|---|---|
| Molecular Weight | 273.14 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 273.1365 |
| Heavy Atoms | 20 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 115994-31-5 |
|---|---|
| SMILES | COC1=C(C=C2CN3CCC4=CC[C@H]([C@H]([C@H]43)C2=C1)O)O |
| InChIKey | KYCRETLRESMMIM-WQVCFCJDSA-N |
Product Overview
Kirkine (CAS 115994-31-5), with molecular formula C16H19NO3 and molecular weight 273.14 g/mol. IUPAC: (1S,15R,16R)-4-methoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,12-tetraene-5,15-diol.
Chemical Property Profile of Kirkine
Property Insights of Kirkine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Kirkine. With a topological polar surface area (TPSA) of 52.9 Ų, Kirkine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Kirkine has 2 hydrogen bond donor(s) and 4 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 Kirkine?
The CAS number of Kirkine is 115994-31-5.
What is the molecular formula of Kirkine?
The molecular formula of Kirkine is C16H19NO3.
What is the molecular weight of Kirkine?
The molecular weight of Kirkine is 273.14 g/mol.
Where can I buy Kirkine?
You can request a quote for Kirkine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kirkine?
Yes, KEHONG BIO provides custom synthesis services for Kirkine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.