toxin NT-1
TL;DR: toxin NT-1 (CAS 73454-91-8) is a chemical compound with molecular formula C19H26O8 and molecular weight 382.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,4S,7R,9R,10R,11S,12S)-11-acetyloxy-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] acetate
Also Known As: Isoneosolaniol, Toxin NT 1, Toxin NT-1, Toxin T-1, NT-1 TOXIN
| Molecular Formula | C19H26O8 |
|---|---|
| Molecular Weight | 382.16 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.16278 |
| Heavy Atoms | 27 |
| Complexity | 718.0 |
Chemical Identifiers
| CAS Number | 73454-91-8 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)CO |
| InChIKey | UROCTWOJYLMRHO-WVJYZQHISA-N |
Product Overview
toxin NT-1 (CAS 73454-91-8), with molecular formula C19H26O8 and molecular weight 382.16 g/mol. IUPAC: [(1S,2R,4S,7R,9R,10R,11S,12S)-11-acetyloxy-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] acetate.
Chemical Property Profile of toxin NT-1
Property Insights of toxin NT-1
The XLogP value of -0.9 indicates that toxin NT-1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for toxin NT-1. Following Lipinski's Rule of Five, toxin NT-1 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of toxin NT-1?
The CAS number of toxin NT-1 is 73454-91-8.
What is the molecular formula of toxin NT-1?
The molecular formula of toxin NT-1 is C19H26O8.
What is the molecular weight of toxin NT-1?
The molecular weight of toxin NT-1 is 382.16 g/mol.
Where can I buy toxin NT-1?
You can request a quote for toxin NT-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for toxin NT-1?
Yes, KEHONG BIO provides custom synthesis services for toxin NT-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.