17-Debromo-2,3-didehydro-3-deoxy-31-nor-4-hydroxyaplysiatoxin
TL;DR: 17-Debromo-2,3-didehydro-3-deoxy-31-nor-4-hydroxyaplysiatoxin (CAS 95098-07-0) is a chemical compound with molecular formula C31H44O10 and molecular weight 576.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(12Z)-14-hydroxy-9-(hydroxymethyl)-3-[5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.11,5]octadec-12-ene-7,11-dione
Also Known As: 31-Noroscillatoxin B, 17-Debromo-2,3-didehydro-3-deoxy-31-nor-4-hydroxyaplysiatoxin
| Molecular Formula | C31H44O10 |
|---|---|
| Molecular Weight | 576.29 g/mol |
| LogP | 3.9183 |
| Topological Polar Surface Area | 140.98 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 576.29346 |
| Heavy Atoms | 41 |
| Complexity | 1143.4626 |
Chemical Identifiers
| CAS Number | 95098-07-0 |
|---|---|
| SMILES | CC1C2CC3(C(CC(/C(=C/C(=O)OC(CC(=O)O2)CO)/O3)(C)O)(C)C)OC1C(C)CCC(C4=CC(=CC=C4)O)OC |
Product Overview
17-Debromo-2,3-didehydro-3-deoxy-31-nor-4-hydroxyaplysiatoxin (CAS 95098-07-0), with molecular formula C31H44O10 and molecular weight 576.29 g/mol. IUPAC: (12Z)-14-hydroxy-9-(hydroxymethyl)-3-[5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.11,5]octadec-12-ene-7,11-dione.
Chemical Property Profile of 17-Debromo-2,3-didehydro-3-deoxy-31-nor-4-hydroxyaplysiatoxin
Property Insights of 17-Debromo-2,3-didehydro-3-deoxy-31-nor-4-hydroxyaplysiatoxin
The XLogP value of 3.9183 indicates that 17-Debromo-2,3-didehydro-3-deoxy-31-nor-4-hydroxyaplysiatoxin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.98 Ų indicates high polarity, suggesting 17-Debromo-2,3-didehydro-3-deoxy-31-nor-4-hydroxyaplysiatoxin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 17-Debromo-2,3-didehydro-3-deoxy-31-nor-4-hydroxyaplysiatoxin has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 17-Debromo-2,3-didehydro-3-deoxy-31-nor-4-hydroxyaplysiatoxin?
The CAS number of 17-Debromo-2,3-didehydro-3-deoxy-31-nor-4-hydroxyaplysiatoxin is 95098-07-0.
What is the molecular formula of 17-Debromo-2,3-didehydro-3-deoxy-31-nor-4-hydroxyaplysiatoxin?
The molecular formula of 17-Debromo-2,3-didehydro-3-deoxy-31-nor-4-hydroxyaplysiatoxin is C31H44O10.
What is the molecular weight of 17-Debromo-2,3-didehydro-3-deoxy-31-nor-4-hydroxyaplysiatoxin?
The molecular weight of 17-Debromo-2,3-didehydro-3-deoxy-31-nor-4-hydroxyaplysiatoxin is 576.29 g/mol.
Where can I buy 17-Debromo-2,3-didehydro-3-deoxy-31-nor-4-hydroxyaplysiatoxin?
You can request a quote for 17-Debromo-2,3-didehydro-3-deoxy-31-nor-4-hydroxyaplysiatoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Debromo-2,3-didehydro-3-deoxy-31-nor-4-hydroxyaplysiatoxin?
Yes, KEHONG BIO provides custom synthesis services for 17-Debromo-2,3-didehydro-3-deoxy-31-nor-4-hydroxyaplysiatoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.