OXONITINE
TL;DR: OXONITINE (CAS 545-57-3) is a chemical compound with molecular formula C33H43NO12 and molecular weight 645.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[8-acetyloxy-11-formyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
Also Known As: OXONITINE
| Molecular Formula | C33H43NO12 |
|---|---|
| Molecular Weight | 645.28 g/mol |
| LogP | -0.2154 |
| Topological Polar Surface Area | 170.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 645.2785 |
| Heavy Atoms | 46 |
| Complexity | 1395.605 |
Chemical Identifiers
| CAS Number | 545-57-3 |
|---|---|
| SMILES | CC(=O)OC12C3C(CC(C3OC(=O)C4=CC=CC=C4)(C(C1O)OC)O)C56C(CC(C7(C5C(C2C6N(C7)C=O)OC)COC)O)OC |
Product Overview
OXONITINE (CAS 545-57-3), with molecular formula C33H43NO12 and molecular weight 645.28 g/mol. IUPAC: [8-acetyloxy-11-formyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate.
Chemical Property Profile of OXONITINE
Property Insights of OXONITINE
The XLogP value of -0.2154 indicates that OXONITINE is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 170.52 Ų indicates high polarity, suggesting OXONITINE may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, OXONITINE has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of OXONITINE?
The CAS number of OXONITINE is 545-57-3.
What is the molecular formula of OXONITINE?
The molecular formula of OXONITINE is C33H43NO12.
What is the molecular weight of OXONITINE?
The molecular weight of OXONITINE is 645.28 g/mol.
Where can I buy OXONITINE?
You can request a quote for OXONITINE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for OXONITINE?
Yes, KEHONG BIO provides custom synthesis services for OXONITINE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.