Bryophyllin B
TL;DR: Bryophyllin B (CAS 125339-13-1) is a chemical compound with molecular formula C26H34O9 and molecular weight 490.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,4R,6R,7R,10S,14S,16S,18R)-2,10,14,16-tetrahydroxy-6-methyl-7-(6-oxopyran-3-yl)-3-oxapentacyclo[9.7.1.01,14.04,19.06,10]nonadecan-18-yl] acetate
Also Known As: Bryophyllin B, KST-1A1492, KST-1A1493, (1, A,3
| Molecular Formula | C26H34O9 |
|---|---|
| Molecular Weight | 490.22 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 490.22028 |
| Heavy Atoms | 35 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 125339-13-1 |
|---|---|
| SMILES | CC(=O)O[C@@H]1C[C@@H](C[C@@]2(C13[C@@H](O[C@H]4C3C(CC2)[C@]5(CC[C@@H]([C@]5(C4)C)C6=COC(=O)C=C6)O)O)O)O |
| InChIKey | IJJFGJIZGZSCBF-PFNUTFQISA-N |
Product Overview
Bryophyllin B (CAS 125339-13-1), with molecular formula C26H34O9 and molecular weight 490.22 g/mol. IUPAC: [(2R,4R,6R,7R,10S,14S,16S,18R)-2,10,14,16-tetrahydroxy-6-methyl-7-(6-oxopyran-3-yl)-3-oxapentacyclo[9.7.1.01,14.04,19.06,10]nonadecan-18-yl] acetate.
Chemical Property Profile of Bryophyllin B
Property Insights of Bryophyllin B
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bryophyllin B. The TPSA of 143.0 Ų indicates high polarity, suggesting Bryophyllin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bryophyllin B has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bryophyllin B?
The CAS number of Bryophyllin B is 125339-13-1.
What is the molecular formula of Bryophyllin B?
The molecular formula of Bryophyllin B is C26H34O9.
What is the molecular weight of Bryophyllin B?
The molecular weight of Bryophyllin B is 490.22 g/mol.
Where can I buy Bryophyllin B?
You can request a quote for Bryophyllin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bryophyllin B?
Yes, KEHONG BIO provides custom synthesis services for Bryophyllin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.