萨宾毒素D
TL;DR: 萨宾毒素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.
萨宾毒素D
[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
萨宾毒素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 萨宾毒素D
Property Insights of 萨宾毒素D
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 萨宾毒素D. The TPSA of 142.0 Ų indicates high polarity, suggesting 萨宾毒素D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 萨宾毒素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 萨宾毒素D?
The CAS number of 萨宾毒素D is 80998-07-8.
What is the molecular formula of 萨宾毒素D?
The molecular formula of 萨宾毒素D is C30H37NO8.
What is the molecular weight of 萨宾毒素D?
The molecular weight of 萨宾毒素D is 539.25 g/mol.
Where can I buy 萨宾毒素D?
You can request a quote for 萨宾毒素D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 萨宾毒素D?
Yes, KEHONG BIO provides custom synthesis services for 萨宾毒素D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.