Aestivophoenin A
TL;DR: Aestivophoenin A (CAS 171864-91-8) is a chemical compound with molecular formula C31H32N2O7 and molecular weight 544.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] 7-benzoyl-5-(3-methylbut-2-enyl)-10H-phenazine-1-carboxylate
Also Known As: Aestivophoenin A, HY-N14931, (2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl 7-benzoyl-5-(3-methylbut-2-en-1-yl)-5,10-dihydrophenazine-1-carboxylate, [(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-methyloxan-2-yl] 7-benzoyl-5-(3-methylbut-2-enyl)-10H-phenazine-1-carboxylate, 5-(3-Methyl-2-butenyl)-7-benzoyl-5,10-dihydrophenazine-1-carboxylic acid alpha-L-rhamnopyranosyl ester
| Molecular Formula | C31H32N2O7 |
|---|---|
| Molecular Weight | 544.22 g/mol |
| LogP | 4.0632 |
| Topological Polar Surface Area | 128.56 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 544.22095 |
| Heavy Atoms | 40 |
| Complexity | 1451.2928 |
Chemical Identifiers
| CAS Number | 171864-91-8 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC(=O)C2=C3C(=CC=C2)N(C4=C(N3)C=CC(=C4)C(=O)C5=CC=CC=C5)CC=C(C)C)O)O)O |
Product Overview
Aestivophoenin A (CAS 171864-91-8), with molecular formula C31H32N2O7 and molecular weight 544.22 g/mol. IUPAC: [(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] 7-benzoyl-5-(3-methylbut-2-enyl)-10H-phenazine-1-carboxylate.
Chemical Property Profile of Aestivophoenin A
Property Insights of Aestivophoenin A
The XLogP value of 4.0632 indicates that Aestivophoenin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.56 Ų falls within the moderate polarity range, balancing permeability and solubility for Aestivophoenin A. Following Lipinski's Rule of Five, Aestivophoenin A has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aestivophoenin A?
The CAS number of Aestivophoenin A is 171864-91-8.
What is the molecular formula of Aestivophoenin A?
The molecular formula of Aestivophoenin A is C31H32N2O7.
What is the molecular weight of Aestivophoenin A?
The molecular weight of Aestivophoenin A is 544.22 g/mol.
Where can I buy Aestivophoenin A?
You can request a quote for Aestivophoenin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aestivophoenin A?
Yes, KEHONG BIO provides custom synthesis services for Aestivophoenin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.