Surugatoxin
TL;DR: Surugatoxin (CAS 40957-92-4) is a chemical compound with molecular formula C25H26BrN5O13 and molecular weight 683.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentahydroxycyclohexyl) 6-bromo-6'a,9'-dihydroxy-9'-methyl-1',2,3',10'-tetraoxospiro[1H-indole-3,8'-4,6,7,11a-tetrahydropyrido[1,2-f]pteridine]-7'-carboxylate
Also Known As: Surugatoxin, (2,3,4,5,6-pentahydroxycyclohexyl) 6-bromo-6'a,9'-dihydroxy-9'-methyl-1',2,3',10'-tetraoxospiro[1H-indole-3,8'-4,6,7,11a-tetrahydropyrido[1,2-f]pteridine]-7'-carboxylate
| Molecular Formula | C25H26BrN5O13 |
|---|---|
| Molecular Weight | 683.07 g/mol |
| LogP | -5.0 |
| Topological Polar Surface Area | 288.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 3 |
| Exact Mass | 683.07104 |
| Heavy Atoms | 44 |
| Complexity | 1350.0 |
Chemical Identifiers
| CAS Number | 40957-92-4 |
|---|---|
| SMILES | CC1(C(=O)N2C3C(=NCC2(C(C14C5=C(C=C(C=C5)Br)NC4=O)C(=O)OC6C(C(C(C(C6O)O)O)O)O)O)NC(=O)NC3=O)O |
| InChIKey | UVZLBJYVHGTOFH-UHFFFAOYSA-N |
Product Overview
Surugatoxin (CAS 40957-92-4), with molecular formula C25H26BrN5O13 and molecular weight 683.07 g/mol. IUPAC: (2,3,4,5,6-pentahydroxycyclohexyl) 6-bromo-6'a,9'-dihydroxy-9'-methyl-1',2,3',10'-tetraoxospiro[1H-indole-3,8'-4,6,7,11a-tetrahydropyrido[1,2-f]pteridine]-7'-carboxylate.
Chemical Property Profile of Surugatoxin
Property Insights of Surugatoxin
The XLogP value of -5.0 indicates that Surugatoxin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 288.0 Ų indicates high polarity, suggesting Surugatoxin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Surugatoxin has 10 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Surugatoxin?
The CAS number of Surugatoxin is 40957-92-4.
What is the molecular formula of Surugatoxin?
The molecular formula of Surugatoxin is C25H26BrN5O13.
What is the molecular weight of Surugatoxin?
The molecular weight of Surugatoxin is 683.07 g/mol.
Where can I buy Surugatoxin?
You can request a quote for Surugatoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Surugatoxin?
Yes, KEHONG BIO provides custom synthesis services for Surugatoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.