Baccharinol
TL;DR: Baccharinol (CAS 63814-57-3) is a chemical compound with molecular formula C29H38O11 and molecular weight 562.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,15-dihydroxy-18-(1-hydroxyethyl)-5,14,26-trimethylspiro[2,10,13,17,24-pentaoxapentacyclo[23.2.1.03,8.08,26.012,14]octacosa-4,19,21-triene-27,2'-oxirane]-11,23-dione
Also Known As: Baccharinol, Baccharinoid B4, Verrucarin A, 7'-deoxo-2'-deoxy-2',3'-epoxy-4'8-dihydroxy-7', Verrucarin A, 7a(2)-deoxo-2a(2)-deoxy-2a(2),3a(2)-epoxy-4a(2),8-dihydroxy-7a(2)-[(1R)-1-hydroxyethyl]-, (2a(2)S,3a(2)R,4a(2)S,7a(2)R,8R)-
| Molecular Formula | C29H38O11 |
|---|---|
| Molecular Weight | 562.24 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 1 |
| Exact Mass | 562.2414 |
| Heavy Atoms | 40 |
| Complexity | 1160.0 |
Chemical Identifiers
| CAS Number | 63814-57-3 |
|---|---|
| SMILES | CC1=CC2C3(CC1O)COC(=O)C4C(O4)(C(COC(C=CC=CC(=O)OC5C3(C6(CO6)C(C5)O2)C)C(C)O)O)C |
| InChIKey | ZGOCMMMDEQOCDU-UHFFFAOYSA-N |
Product Overview
Baccharinol (CAS 63814-57-3), with molecular formula C29H38O11 and molecular weight 562.24 g/mol. IUPAC: 6,15-dihydroxy-18-(1-hydroxyethyl)-5,14,26-trimethylspiro[2,10,13,17,24-pentaoxapentacyclo[23.2.1.03,8.08,26.012,14]octacosa-4,19,21-triene-27,2'-oxirane]-11,23-dione.
Chemical Property Profile of Baccharinol
Property Insights of Baccharinol
The XLogP value of -0.1 indicates that Baccharinol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 157.0 Ų indicates high polarity, suggesting Baccharinol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Baccharinol has 3 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 Baccharinol?
The CAS number of Baccharinol is 63814-57-3.
What is the molecular formula of Baccharinol?
The molecular formula of Baccharinol is C29H38O11.
What is the molecular weight of Baccharinol?
The molecular weight of Baccharinol is 562.24 g/mol.
Where can I buy Baccharinol?
You can request a quote for Baccharinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Baccharinol?
Yes, KEHONG BIO provides custom synthesis services for Baccharinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.