Bryophyllin A
TL;DR: Bryophyllin A (CAS 105608-32-0) is a chemical compound with molecular formula C26H32O8 and molecular weight 472.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,4R,5S,8R,9R,11R,12S,13R,14R,18S)-5,11-dihydroxy-9,16-dimethyl-8-(6-oxopyran-3-yl)-15,17,20-trioxahexacyclo[14.3.1.114,18.01,13.04,12.05,9]henicosane-13-carbaldehyde
Also Known As: Bryophyllin A, (1S,4R,5S,8R,9R,11R,12S,13R,14R,18S)-5,11-Dihydroxy-9,16-dimethyl-8-(6-oxopyran-3-yl)-15,17,20-trioxahexacyclo[14.3.1.114,18.01,13.04,12.05,9]henicosane-13-carbaldehyde
| Molecular Formula | C26H32O8 |
|---|---|
| Molecular Weight | 472.21 g/mol |
| LogP | 2.2512 |
| Topological Polar Surface Area | 115.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 472.20972 |
| Heavy Atoms | 34 |
| Complexity | 1097.7678 |
Chemical Identifiers
| CAS Number | 105608-32-0 |
|---|---|
| SMILES | C[C@]12C[C@H]([C@H]3[C@H]([C@]1(CC[C@@H]2C4=COC(=O)C=C4)O)CC[C@@]56[C@@]3([C@H]7C[C@@H](C5)OC(O7)(O6)C)C=O)O |
Product Overview
Bryophyllin A (CAS 105608-32-0), with molecular formula C26H32O8 and molecular weight 472.21 g/mol. IUPAC: (1S,4R,5S,8R,9R,11R,12S,13R,14R,18S)-5,11-dihydroxy-9,16-dimethyl-8-(6-oxopyran-3-yl)-15,17,20-trioxahexacyclo[14.3.1.114,18.01,13.04,12.05,9]henicosane-13-carbaldehyde.
Chemical Property Profile of Bryophyllin A
Property Insights of Bryophyllin A
The XLogP value of 2.2512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bryophyllin A. The TPSA of 115.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Bryophyllin A. Following Lipinski's Rule of Five, Bryophyllin A has 2 hydrogen bond donor(s) and 8 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 A?
The CAS number of Bryophyllin A is 105608-32-0.
What is the molecular formula of Bryophyllin A?
The molecular formula of Bryophyllin A is C26H32O8.
What is the molecular weight of Bryophyllin A?
The molecular weight of Bryophyllin A is 472.21 g/mol.
Where can I buy Bryophyllin A?
You can request a quote for Bryophyllin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bryophyllin A?
Yes, KEHONG BIO provides custom synthesis services for Bryophyllin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.