Baccharinoid A-1
TL;DR: Baccharinoid A-1 (CAS 93633-91-1) is a chemical compound with molecular formula C31H42O11 and molecular weight 590.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,3R,8R,18E,20Z,24R,25S,26S)-14-hydroxy-17-(1-hydroxyethyl)-5,13,25-trimethyl-11,22-dioxospiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-13-yl] acetate
Also Known As: Baccharinoid A-1
| Molecular Formula | C31H42O11 |
|---|---|
| Molecular Weight | 590.27 g/mol |
| LogP | 2.0791 |
| Topological Polar Surface Area | 150.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 2 |
| Exact Mass | 590.2727 |
| Heavy Atoms | 42 |
| Complexity | 1185.2621 |
Chemical Identifiers
| CAS Number | 93633-91-1 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@@]3(CC1)COC(=O)CC(C(COC(/C=C/C=C\C(=O)O[C@H]4[C@]3([C@]5(CO5)[C@@H](C4)O2)C)C(C)O)O)(C)OC(=O)C |
Product Overview
Baccharinoid A-1 (CAS 93633-91-1), with molecular formula C31H42O11 and molecular weight 590.27 g/mol. IUPAC: [(1R,3R,8R,18E,20Z,24R,25S,26S)-14-hydroxy-17-(1-hydroxyethyl)-5,13,25-trimethyl-11,22-dioxospiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-13-yl] acetate.
Chemical Property Profile of Baccharinoid A-1
Property Insights of Baccharinoid A-1
The XLogP value of 2.0791 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Baccharinoid A-1. The TPSA of 150.35 Ų indicates high polarity, suggesting Baccharinoid A-1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Baccharinoid A-1 has 2 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 Baccharinoid A-1?
The CAS number of Baccharinoid A-1 is 93633-91-1.
What is the molecular formula of Baccharinoid A-1?
The molecular formula of Baccharinoid A-1 is C31H42O11.
What is the molecular weight of Baccharinoid A-1?
The molecular weight of Baccharinoid A-1 is 590.27 g/mol.
Where can I buy Baccharinoid A-1?
You can request a quote for Baccharinoid A-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Baccharinoid A-1?
Yes, KEHONG BIO provides custom synthesis services for Baccharinoid A-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.