Bacharinoid B12
TL;DR: Bacharinoid B12 (CAS 105563-53-9) is a chemical compound with molecular formula C29H38O10 and molecular weight 546.2465 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(19E,21E)-28-hydroxy-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: Bacharinoid B12, (2'S,3S,3'R,7'R(R))-7'-Deoxo-2'-deoxy-2',3'-epoxy-3-hydroxy-7'-(1-hydroxyethyl)verrucarin A, Verrucarin A, 7'-deoxo-2'-deoxy-2',3'-epoxy-3-hydroxy-7'-(1-hydroxyethyl)-, (2'S,3S,3'R,7'R(R))-, BRN 5195912
Technical Specifications
| Molecular Formula | C29H38O10 |
| Molecular Weight | 546.2465 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 1 |
| Exact Mass | 546.2465 Da |
| Heavy Atoms | 39 |
| Complexity | 1130.0 |
| SMILES | CC1=CC2C3(CC1)COC(=O)C4C(O4)(CCOC(/C=C/C=C/C(=O)OC5C3(C6(CO6)C(C5O)O2)C)C(C)O)C |
| InChIKey | VYIKPARQGCJZRA-KQQUZDAGSA-N |
Chemical Property Profile of Bacharinoid B12
Property Insights of Bacharinoid B12
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bacharinoid B12. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bacharinoid B12. Following Lipinski's Rule of Five, Bacharinoid B12 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Bacharinoid B12?
The CAS number of Bacharinoid B12 is 105563-53-9.
What is the molecular formula of Bacharinoid B12?
The molecular formula of Bacharinoid B12 is C29H38O10.
What is the molecular weight of Bacharinoid B12?
The molecular weight of Bacharinoid B12 is 546.2465 g/mol.
Where can I buy Bacharinoid B12?
You can request a quote for Bacharinoid B12 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bacharinoid B12?
Yes, CoreyChem provides custom synthesis services for Bacharinoid B12 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.