Annotine
TL;DR: Annotine (CAS 5096-59-3) is a chemical compound with molecular formula C16H21NO3 and molecular weight 275.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,10S,11R,13R)-10-hydroxy-16-methyl-14-oxa-6-azapentacyclo[8.7.0.01,6.02,13.011,16]heptadec-8-en-15-one
Also Known As: Annotine, 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-7-one, (1S,2S,10S,11R,13R)-10-hydroxy-16-methyl-14-oxa-6-azapentacyclo[8.7.0.01,6.02,13.011,16]heptadec-8-en-15-one
| Molecular Formula | C16H21NO3 |
|---|---|
| Molecular Weight | 275.15 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 275.15213 |
| Heavy Atoms | 20 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 5096-59-3 |
|---|---|
| SMILES | CC12C[C@@]34[C@@H]5CCCN3CC=C[C@@]4([C@@H]1C[C@H]5OC2=O)O |
| InChIKey | AAZRLGLWPJJDGC-KPYWPBPJSA-N |
Product Overview
Annotine (CAS 5096-59-3), with molecular formula C16H21NO3 and molecular weight 275.15 g/mol. IUPAC: (1S,2S,10S,11R,13R)-10-hydroxy-16-methyl-14-oxa-6-azapentacyclo[8.7.0.01,6.02,13.011,16]heptadec-8-en-15-one.
Chemical Property Profile of Annotine
Property Insights of Annotine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Annotine. With a topological polar surface area (TPSA) of 49.8 Ų, Annotine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Annotine has 1 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 Annotine?
The CAS number of Annotine is 5096-59-3.
What is the molecular formula of Annotine?
The molecular formula of Annotine is C16H21NO3.
What is the molecular weight of Annotine?
The molecular weight of Annotine is 275.15 g/mol.
Where can I buy Annotine?
You can request a quote for Annotine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Annotine?
Yes, KEHONG BIO provides custom synthesis services for Annotine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.