Prosurugatoxin
TL;DR: Prosurugatoxin (CAS 99102-40-6) is a chemical compound with molecular formula C25H26BrN5O11 and molecular weight 651.08 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-4'-hydroxy-4'-methyl-2,12',14'-trioxospiro[1H-indole-3,5'-2,9,11,13-tetrazatricyclo[8.4.0.03,7]tetradeca-1(10),2-diene]-6'-carboxylate
Also Known As: Prosurugatoxin, (Des-xylopyranosyl)neosurugatoxin, 2,3,4,5,6-pentahydroxycyclohexyl 6'-bromo-6-hydroxy-6-methyl-2,2',4-trioxo-1,1',2',3,4,6,8,8a,9,10-decahydro-2h-spiro[cyclopenta[e]pyrimido[4,5-b][1,4]diazepine-7,3'-indole]-8-carboxylate, (2,3,4,5,6-Pentahydroxycyclohexyl) 6-bromo-4'-hydroxy-4'-methyl-2,12',14'-trioxospiro[1H-indole-3,5'-2,9,11,13-tetrazatricyclo[8.4.0.03,7]tetradeca-1(10),2-diene]-6'-carboxylate, 2,3,4,5,6-Pentahydroxycyclohexyl 6'-bromo-2,2',4,6-tetrahydroxy-6-methyl-8,8a,9,10-tetrahydro-6H-spiro[cyclopenta[e]pyrimido[4,5-b][1,4]diazepine-7,3'-indole]-8-carboxylate
| Molecular Formula | C25H26BrN5O11 |
|---|---|
| Molecular Weight | 651.08 g/mol |
| LogP | -4.0 |
| Topological Polar Surface Area | 259.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 3 |
| Exact Mass | 651.08124 |
| Heavy Atoms | 42 |
| Complexity | 1300.0 |
Chemical Identifiers
| CAS Number | 99102-40-6 |
|---|---|
| SMILES | CC1(C2=NC3=C(NCC2C(C14C5=C(C=C(C=C5)Br)NC4=O)C(=O)OC6C(C(C(C(C6O)O)O)O)O)NC(=O)NC3=O)O |
| InChIKey | AFDHDUMCMVFEIH-UHFFFAOYSA-N |
Product Overview
Prosurugatoxin (CAS 99102-40-6), with molecular formula C25H26BrN5O11 and molecular weight 651.08 g/mol. IUPAC: (2,3,4,5,6-pentahydroxycyclohexyl) 6-bromo-4'-hydroxy-4'-methyl-2,12',14'-trioxospiro[1H-indole-3,5'-2,9,11,13-tetrazatricyclo[8.4.0.03,7]tetradeca-1(10),2-diene]-6'-carboxylate.
Chemical Property Profile of Prosurugatoxin
Property Insights of Prosurugatoxin
The XLogP value of -4.0 indicates that Prosurugatoxin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 259.0 Ų indicates high polarity, suggesting Prosurugatoxin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Prosurugatoxin has 10 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Prosurugatoxin?
The CAS number of Prosurugatoxin is 99102-40-6.
What is the molecular formula of Prosurugatoxin?
The molecular formula of Prosurugatoxin is C25H26BrN5O11.
What is the molecular weight of Prosurugatoxin?
The molecular weight of Prosurugatoxin is 651.08 g/mol.
Where can I buy Prosurugatoxin?
You can request a quote for Prosurugatoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prosurugatoxin?
Yes, KEHONG BIO provides custom synthesis services for Prosurugatoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.