Sapintoxin A
TL;DR: Sapintoxin A (CAS 79083-69-5) is a chemical compound with molecular formula C30H37NO7 and molecular weight 523.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R,6S,10S,11R,13S,14R,15R)-13-acetyloxy-1-hydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-(methylamino)benzoate
Also Known As: Sapintoxin A, KST-1A8466, 12-O-(N-methylaminobenzoyl)-13-O-acetyl-4-deoxyphorbol, (1ar,1bs,4as,7ar,7br,8r,9r,9as)-9a-(acetyloxy)-7b-hydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1h-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl2-(methylamino)benzoate, [(1R,2R,6S,10S,11R,13S,14R,15R)-13-acetyloxy-1-hydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-(methylamino)benzoate
| Molecular Formula | C30H37NO7 |
|---|---|
| Molecular Weight | 523.26 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 523.257 |
| Heavy Atoms | 38 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 79083-69-5 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@H]4CC(=C3)CO)C)O)OC(=O)C)OC(=O)C5=CC=CC=C5NC |
| InChIKey | KBSBUGUKMIUBEE-WQYXQGCUSA-N |
Product Overview
Sapintoxin A (CAS 79083-69-5), with molecular formula C30H37NO7 and molecular weight 523.26 g/mol. IUPAC: [(1R,2R,6S,10S,11R,13S,14R,15R)-13-acetyloxy-1-hydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-(methylamino)benzoate.
Chemical Property Profile of Sapintoxin A
Property Insights of Sapintoxin A
The XLogP value of 3.3 indicates that Sapintoxin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sapintoxin A. Following Lipinski's Rule of Five, Sapintoxin A has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sapintoxin A?
The CAS number of Sapintoxin A is 79083-69-5.
What is the molecular formula of Sapintoxin A?
The molecular formula of Sapintoxin A is C30H37NO7.
What is the molecular weight of Sapintoxin A?
The molecular weight of Sapintoxin A is 523.26 g/mol.
Where can I buy Sapintoxin A?
You can request a quote for Sapintoxin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sapintoxin A?
Yes, KEHONG BIO provides custom synthesis services for Sapintoxin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.