Tolboxane
TL;DR: Tolboxane (CAS 7000-27-3) is a chemical compound with molecular formula C41H54N2O13 and molecular weight 782.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[27-[2-(dimethylamino)-2-oxoethoxy]-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate
Also Known As: Tolboxane
| Molecular Formula | C41H54N2O13 |
|---|---|
| Molecular Weight | 782.36 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 211.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 782.3626 |
| Heavy Atoms | 56 |
| Complexity | 1520.0 |
Chemical Identifiers
| CAS Number | 7000-27-3 |
|---|---|
| SMILES | CC1C=CC=C(C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)OCC(=O)N(C)C)C |
| InChIKey | VRPOMUTWCLUKGH-UHFFFAOYSA-N |
Product Overview
Tolboxane (CAS 7000-27-3), with molecular formula C41H54N2O13 and molecular weight 782.36 g/mol. IUPAC: [27-[2-(dimethylamino)-2-oxoethoxy]-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate.
Chemical Property Profile of Tolboxane
Property Insights of Tolboxane
The XLogP value of 4.8 indicates that Tolboxane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 211.0 Ų indicates high polarity, suggesting Tolboxane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tolboxane 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 Tolboxane?
The CAS number of Tolboxane is 7000-27-3.
What is the molecular formula of Tolboxane?
The molecular formula of Tolboxane is C41H54N2O13.
What is the molecular weight of Tolboxane?
The molecular weight of Tolboxane is 782.36 g/mol.
Where can I buy Tolboxane?
You can request a quote for Tolboxane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tolboxane?
Yes, KEHONG BIO provides custom synthesis services for Tolboxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.