ANNOTININE
TL;DR: ANNOTININE (CAS 559-49-9) 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.
(1R,2S,4R,10S,11R,14S,17S)-15-methyl-3,12-dioxa-6-azahexacyclo[8.4.3.111,14.01,17.02,4.06,17]octadecan-13-one
Also Known As: Annotinin, 4-27-00-06563 (Beilstein Handbook Reference), (1R,2S,4R,10S,11R,14S,17S)-15-methyl-3,12-dioxa-6-azahexacyclo[8.4.3.111,14.01,17.02,4.06,17]octadecan-13-one
| Molecular Formula | C16H21NO3 |
|---|---|
| Molecular Weight | 275.15 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 275.15213 |
| Heavy Atoms | 20 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 559-49-9 |
|---|---|
| SMILES | CC1C[C@@]23[C@]14[C@@H]5C[C@H]([C@H]2CCCN3C[C@@H]6[C@H]4O6)OC5=O |
| InChIKey | MVITYUVPZPGMRM-RLFDSYHXSA-N |
Product Overview
ANNOTININE (CAS 559-49-9), with molecular formula C16H21NO3 and molecular weight 275.15 g/mol. IUPAC: (1R,2S,4R,10S,11R,14S,17S)-15-methyl-3,12-dioxa-6-azahexacyclo[8.4.3.111,14.01,17.02,4.06,17]octadecan-13-one.
Chemical Property Profile of ANNOTININE
Property Insights of ANNOTININE
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ANNOTININE. With a topological polar surface area (TPSA) of 42.1 Ų, ANNOTININE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ANNOTININE has 0 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 ANNOTININE?
The CAS number of ANNOTININE is 559-49-9.
What is the molecular formula of ANNOTININE?
The molecular formula of ANNOTININE is C16H21NO3.
What is the molecular weight of ANNOTININE?
The molecular weight of ANNOTININE is 275.15 g/mol.
Where can I buy ANNOTININE?
You can request a quote for ANNOTININE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ANNOTININE?
Yes, KEHONG BIO provides custom synthesis services for ANNOTININE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.