10-HYDROXY MESACONITINE
TL;DR: 10-HYDROXY MESACONITINE (CAS 76918-93-9) is a chemical compound with molecular formula C32H43NO12 and molecular weight 633.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2S,3S,4R,5R,6S,7S,8S,9R,13R,14R,16S,17R,18R)-8-acetyloxy-2,5,7,14,18-pentahydroxy-6,16-dimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
Also Known As: 10-HYDROXY MESACONITINE
| Molecular Formula | C32H43NO12 |
|---|---|
| Molecular Weight | 633.28 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 633.2785 |
| Heavy Atoms | 45 |
| Complexity | 1230.0 |
Chemical Identifiers
| CAS Number | 76918-93-9 |
|---|---|
| SMILES | CC(=O)O[C@@]12[C@H]3[C@@H]([C@@H]4[C@@]5(CN(C3[C@]4([C@H](C[C@H]5O)OC)[C@]6([C@@H]1[C@H]([C@](C6)([C@H]([C@@H]2O)OC)O)OC(=O)C7=CC=CC=C7)O)C)COC)O |
| InChIKey | URKUYKQQXBYRGC-BEJNHITDSA-N |
Product Overview
10-HYDROXY MESACONITINE (CAS 76918-93-9), with molecular formula C32H43NO12 and molecular weight 633.28 g/mol. IUPAC: [(1R,2S,3S,4R,5R,6S,7S,8S,9R,13R,14R,16S,17R,18R)-8-acetyloxy-2,5,7,14,18-pentahydroxy-6,16-dimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate.
Chemical Property Profile of 10-HYDROXY MESACONITINE
Property Insights of 10-HYDROXY MESACONITINE
The XLogP value of -1.7 indicates that 10-HYDROXY MESACONITINE is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 185.0 Ų indicates high polarity, suggesting 10-HYDROXY MESACONITINE may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 10-HYDROXY MESACONITINE has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 10-HYDROXY MESACONITINE?
The CAS number of 10-HYDROXY MESACONITINE is 76918-93-9.
What is the molecular formula of 10-HYDROXY MESACONITINE?
The molecular formula of 10-HYDROXY MESACONITINE is C32H43NO12.
What is the molecular weight of 10-HYDROXY MESACONITINE?
The molecular weight of 10-HYDROXY MESACONITINE is 633.28 g/mol.
Where can I buy 10-HYDROXY MESACONITINE?
You can request a quote for 10-HYDROXY MESACONITINE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-HYDROXY MESACONITINE?
Yes, KEHONG BIO provides custom synthesis services for 10-HYDROXY MESACONITINE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.