Ptychodiscus brevis toxin 6
TL;DR: Ptychodiscus brevis toxin 6 (CAS 97938-23-3) is a chemical compound with molecular formula C50H70O15 and molecular weight 910.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(37-hydroxy-6,16,19,26,28,36,50-heptamethyl-14-oxo-4,9,13,18,22,27,31,35,40,44,47,51-dodecaoxadodecacyclo[26.23.0.03,26.05,23.08,21.010,19.012,17.030,50.032,45.034,43.036,41.046,48]henpentacont-15-en-39-yl)methyl]prop-2-enal
Also Known As: Brevetoxin PbTx 6, Ptychodiscus brevis toxin 6, GB 6, Brevetoxin B, 27,28-epoxy-27,28-dihydro-
| Molecular Formula | C50H70O15 |
|---|---|
| Molecular Weight | 910.47 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 168.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 3 |
| Exact Mass | 910.4715 |
| Heavy Atoms | 65 |
| Complexity | 1980.0 |
Chemical Identifiers
| CAS Number | 97938-23-3 |
|---|---|
| SMILES | CC1CC2C(CC3(C(O2)CC4C(O3)C(=CC(=O)O4)C)C)OC5C1OC6CC7C(CC8C(O7)(CC9C(O9)C1C(O8)CC2C(O1)CC1C(O2)(C(CC(O1)CC(=C)C=O)O)C)C)(OC6(CC5)C)C |
| InChIKey | XXPMBLWPRXRSBN-UHFFFAOYSA-N |
Product Overview
Ptychodiscus brevis toxin 6 (CAS 97938-23-3), with molecular formula C50H70O15 and molecular weight 910.47 g/mol. IUPAC: 2-[(37-hydroxy-6,16,19,26,28,36,50-heptamethyl-14-oxo-4,9,13,18,22,27,31,35,40,44,47,51-dodecaoxadodecacyclo[26.23.0.03,26.05,23.08,21.010,19.012,17.030,50.032,45.034,43.036,41.046,48]henpentacont-15-en-39-yl)methyl]prop-2-enal.
Chemical Property Profile of Ptychodiscus brevis toxin 6
Property Insights of Ptychodiscus brevis toxin 6
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ptychodiscus brevis toxin 6. The TPSA of 168.0 Ų indicates high polarity, suggesting Ptychodiscus brevis toxin 6 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ptychodiscus brevis toxin 6 has 1 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ptychodiscus brevis toxin 6?
The CAS number of Ptychodiscus brevis toxin 6 is 97938-23-3.
What is the molecular formula of Ptychodiscus brevis toxin 6?
The molecular formula of Ptychodiscus brevis toxin 6 is C50H70O15.
What is the molecular weight of Ptychodiscus brevis toxin 6?
The molecular weight of Ptychodiscus brevis toxin 6 is 910.47 g/mol.
Where can I buy Ptychodiscus brevis toxin 6?
You can request a quote for Ptychodiscus brevis toxin 6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ptychodiscus brevis toxin 6?
Yes, KEHONG BIO provides custom synthesis services for Ptychodiscus brevis toxin 6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.