Benzoylmesaconine
TL;DR: Benzoylmesaconine (CAS 63238-67-5) is a chemical compound with molecular formula C31H43NO10 and molecular weight 589.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4R,5S,6S,7S,8R,13R,14R,16S,17S,18R)-5,7,8,14-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
Also Known As: Benzoylmesaconine
| Molecular Formula | C31H43NO10 |
|---|---|
| Molecular Weight | 589.29 g/mol |
| LogP | -0.3128 |
| Topological Polar Surface Area | 147.38 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 589.2887 |
| Heavy Atoms | 42 |
| Complexity | 1235.328 |
Chemical Identifiers
| CAS Number | 63238-67-5 |
|---|---|
| SMILES | CN1C[C@@]2([C@@H](C[C@@H](C34[C@@H]2[C@H](C(C31)[C@@]5([C@@H]6[C@@H]4C[C@]([C@@H]6OC(=O)C7=CC=CC=C7)([C@H]([C@@H]5O)OC)O)O)OC)OC)O)COC |
Product Overview
Benzoylmesaconine (CAS 63238-67-5), with molecular formula C31H43NO10 and molecular weight 589.29 g/mol. IUPAC: [(2S,3R,4R,5S,6S,7S,8R,13R,14R,16S,17S,18R)-5,7,8,14-tetrahydroxy-6,16,18-trimethoxy-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 Benzoylmesaconine
Property Insights of Benzoylmesaconine
The XLogP value of -0.3128 indicates that Benzoylmesaconine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 147.38 Ų indicates high polarity, suggesting Benzoylmesaconine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoylmesaconine has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoylmesaconine?
The CAS number of Benzoylmesaconine is 63238-67-5.
What is the molecular formula of Benzoylmesaconine?
The molecular formula of Benzoylmesaconine is C31H43NO10.
What is the molecular weight of Benzoylmesaconine?
The molecular weight of Benzoylmesaconine is 589.29 g/mol.
Where can I buy Benzoylmesaconine?
You can request a quote for Benzoylmesaconine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoylmesaconine?
Yes, KEHONG BIO provides custom synthesis services for Benzoylmesaconine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.