alpha-Sapinine
TL;DR: alpha-Sapinine (CAS 64284-90-8) 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,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: alpha-sapinine, 4alpha-Sapinine, Sapintoxin A, J1.900.791J, ((1R,2R,6R,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 | 64284-90-8 |
|---|---|
| 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-RBUHZZTDSA-N |
Product Overview
alpha-Sapinine (CAS 64284-90-8), with molecular formula C30H37NO7 and molecular weight 523.26 g/mol. IUPAC: [(1R,2R,6R,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 alpha-Sapinine
Property Insights of alpha-Sapinine
The XLogP value of 3.3 indicates that alpha-Sapinine 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 alpha-Sapinine. Following Lipinski's Rule of Five, alpha-Sapinine 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 alpha-Sapinine?
The CAS number of alpha-Sapinine is 64284-90-8.
What is the molecular formula of alpha-Sapinine?
The molecular formula of alpha-Sapinine is C30H37NO7.
What is the molecular weight of alpha-Sapinine?
The molecular weight of alpha-Sapinine is 523.26 g/mol.
Where can I buy alpha-Sapinine?
You can request a quote for alpha-Sapinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Sapinine?
Yes, KEHONG BIO provides custom synthesis services for alpha-Sapinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.