annonacin-A-one
TL;DR: annonacin-A-one (CAS 170900-30-8) is a chemical compound with molecular formula C35H64O7 and molecular weight 596.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[6,11-dihydroxy-11-[5-(1-hydroxytridecyl)oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one
Also Known As: Isoannonacin, Annonacin-A-one, Isoannonacin A, NCI60_005598, 5-[6,11-dihydroxy-11-[5-(1-hydroxytridecyl)oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one
| Molecular Formula | C35H64O7 |
|---|---|
| Molecular Weight | 596.47 g/mol |
| LogP | 8.1 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 26 |
| Exact Mass | 596.4652 |
| Heavy Atoms | 42 |
| Complexity | 713.0 |
| Melting Point | 91 - 92 °C |
Chemical Identifiers
| CAS Number | 170900-30-8 |
|---|---|
| SMILES | CCCCCCCCCCCCC(C1CCC(O1)C(CCCCC(CCCCCC2CC(C(=O)O2)CC(=O)C)O)O)O |
| InChIKey | DGQPZGGOYKKJLX-UHFFFAOYSA-N |
Product Overview
annonacin-A-one (CAS 170900-30-8), with molecular formula C35H64O7 and molecular weight 596.47 g/mol. IUPAC: 5-[6,11-dihydroxy-11-[5-(1-hydroxytridecyl)oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one.
Chemical Property Profile of annonacin-A-one
Property Insights of annonacin-A-one
The XLogP value of 8.1 indicates that annonacin-A-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for annonacin-A-one. Following Lipinski's Rule of Five, annonacin-A-one has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of annonacin-A-one?
The CAS number of annonacin-A-one is 170900-30-8.
What is the molecular formula of annonacin-A-one?
The molecular formula of annonacin-A-one is C35H64O7.
What is the molecular weight of annonacin-A-one?
The molecular weight of annonacin-A-one is 596.47 g/mol.
Where can I buy annonacin-A-one?
You can request a quote for annonacin-A-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for annonacin-A-one?
Yes, KEHONG BIO provides custom synthesis services for annonacin-A-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.