Sapintoxin C
TL;DR: Sapintoxin C (CAS 81345-28-0) 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,6R,7S,10S,11R,13S,14R,15R)-13-acetyloxy-1,7-dihydroxy-4,8,12,12,15-pentamethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-(methylamino)benzoate
Also Known As: Sapintoxin C, Benzoic acid, 2-(methylamino)-, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4,7b-dihydroxy-1,1,3,6,8-pentamethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester, (1aR-(1aalpha,1bbeta,4beta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-, ((1R,2R,6R,7S,10S,11R,13S,14R,15R)-13-acetyloxy-1,7-dihydroxy-4,8,12,12,15-pentamethyl-5-oxo-14-tetracyclo(8.5.0.02,6.011,13)pentadeca-3,8-dienyl) 2-(methylamino)benzoate, (1aR,1bS,4S,4aR,7aR,7bR,8R,9R,9aS)-9a-(Acetyloxy)-4,7b-dihydroxy-1,1,3,6,8-pentamethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl 2-(methylamino)benzoate, (1R,2R,6R,7S,10S,11R,13S,14R,15R)-13-(acetyloxy)-1,7-dihydroxy-4,8,12,12,15-pentamethyl-5-oxotetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-14-yl 2-(methylamino)benzoate
| Molecular Formula | C30H37NO7 |
|---|---|
| Molecular Weight | 523.26 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 523.257 |
| Heavy Atoms | 38 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 81345-28-0 |
|---|---|
| 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]4[C@@H](C(=C3)C)O)C)O)OC(=O)C)OC(=O)C5=CC=CC=C5NC |
| InChIKey | KESIQXYRXFIECZ-UNEHIJSCSA-N |
Product Overview
Sapintoxin C (CAS 81345-28-0), with molecular formula C30H37NO7 and molecular weight 523.26 g/mol. IUPAC: [(1R,2R,6R,7S,10S,11R,13S,14R,15R)-13-acetyloxy-1,7-dihydroxy-4,8,12,12,15-pentamethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-(methylamino)benzoate.
Chemical Property Profile of Sapintoxin C
Property Insights of Sapintoxin C
The XLogP value of 3.4 indicates that Sapintoxin C 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 C. Following Lipinski's Rule of Five, Sapintoxin C 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 C?
The CAS number of Sapintoxin C is 81345-28-0.
What is the molecular formula of Sapintoxin C?
The molecular formula of Sapintoxin C is C30H37NO7.
What is the molecular weight of Sapintoxin C?
The molecular weight of Sapintoxin C is 523.26 g/mol.
Where can I buy Sapintoxin C?
You can request a quote for Sapintoxin C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sapintoxin C?
Yes, KEHONG BIO provides custom synthesis services for Sapintoxin C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.