Trisdine
TL;DR: Trisdine (CAS 123354-94-9) is a chemical compound with molecular formula C44H70Cl2N12O22 and molecular weight 1188.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)
Also Known As: Trisdine, C6H12O7.1/2C22H30Cl2N10.1/2C10H16N2O8, C6-H12-O7.1/2C22-H30-Cl2-N10.1/2C10-H16-N2-O8, D-Gluconic acid, compd. with N,N''-bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide (2:1), mixt. with N,N'-1,2-ethanediylbis(N-(carboxymethyl)glycine), RefChem:192154
| Molecular Formula | C44H70Cl2N12O22 |
|---|---|
| Molecular Weight | 1188.41 g/mol |
| LogP | -5.7208 |
| Topological Polar Surface Area | 610.16 Ų |
| Hydrogen Bond Donors | 22 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 30 |
| Exact Mass | 1188.4105 |
| Heavy Atoms | 80 |
| Complexity | 2117.4229 |
Chemical Identifiers
| CAS Number | 123354-94-9 |
|---|---|
| SMILES | C1=CC(=CC=C1N/C(=N/C(=NCCCCCCN=C(/N=C(/NC2=CC=C(C=C2)Cl)\N)N)N)/N)Cl.C(N(CC(=O)O)CC(=O)O)CN(CC(=O)O)CC(=O)O.C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O.C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O |
Product Overview
Trisdine (CAS 123354-94-9), with molecular formula C44H70Cl2N12O22 and molecular weight 1188.41 g/mol. IUPAC: (1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid).
Chemical Property Profile of Trisdine
Property Insights of Trisdine
The XLogP value of -5.7208 indicates that Trisdine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 610.16 Ų indicates high polarity, suggesting Trisdine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Trisdine has 22 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trisdine?
The CAS number of Trisdine is 123354-94-9.
What is the molecular formula of Trisdine?
The molecular formula of Trisdine is C44H70Cl2N12O22.
What is the molecular weight of Trisdine?
The molecular weight of Trisdine is 1188.41 g/mol.
Where can I buy Trisdine?
You can request a quote for Trisdine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trisdine?
Yes, KEHONG BIO provides custom synthesis services for Trisdine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.