sapintoxin d
TL;DR: sapintoxin d (CAS 80998-07-8) is a chemical compound with molecular formula C30H37NO8 and molecular weight 539.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[13-acetyloxy-1,6-dihydroxy-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 d, [(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-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, 9a-(acetyloxy)-4a,7b-dihydroxy-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-yl 2-(methylamino)benzoate
| Molecular Formula | C30H37NO8 |
|---|---|
| Molecular Weight | 539.25 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 539.2519 |
| Heavy Atoms | 39 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 80998-07-8 |
|---|---|
| SMILES | CC1C(C2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)CO)O)C)O)OC(=O)C)OC(=O)C5=CC=CC=C5NC |
| InChIKey | UPAIGGMQTARRMN-UHFFFAOYSA-N |
Product Overview
sapintoxin d (CAS 80998-07-8), with molecular formula C30H37NO8 and molecular weight 539.25 g/mol. IUPAC: [13-acetyloxy-1,6-dihydroxy-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 d
Property Insights of sapintoxin d
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for sapintoxin d. The TPSA of 142.0 Ų indicates high polarity, suggesting sapintoxin d may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, sapintoxin d 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 sapintoxin d?
The CAS number of sapintoxin d is 80998-07-8.
What is the molecular formula of sapintoxin d?
The molecular formula of sapintoxin d is C30H37NO8.
What is the molecular weight of sapintoxin d?
The molecular weight of sapintoxin d is 539.25 g/mol.
Where can I buy sapintoxin d?
You can request a quote for sapintoxin d directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for sapintoxin d?
Yes, KEHONG BIO provides custom synthesis services for sapintoxin d and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.