Bisdequalinium diacetate
TL;DR: Bisdequalinium diacetate (CAS 45079-74-1) is a chemical compound with molecular formula C44H64N4O4 and molecular weight 712.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
39,42-dimethyl-20,31-diaza-1,12-diazoniapentacyclo[30.6.2.212,19.013,18.033,38]dotetraconta-1(39),12(42),13,15,17,19(41),32(40),33,35,37-decaene diacetate
Also Known As: Bisdequalinium diacetate, Salvisol, Salvizol, bisdequalinium acetate, Bisdequalinium diacetate [JAN]
| Molecular Formula | C44H64N4O4 |
|---|---|
| Molecular Weight | 712.49 g/mol |
| LogP | 7.47644 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 712.49274 |
| Heavy Atoms | 52 |
| Complexity | 721.0 |
Chemical Identifiers
| CAS Number | 45079-74-1 |
|---|---|
| SMILES | CC1=[N+]2CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)NCCCCCCCCCCNC(=C1)C5=CC=CC=C52)C.CC(=O)[O-].CC(=O)[O-] |
| InChIKey | GCWKUHNKKWYKOP-UHFFFAOYSA-N |
Product Overview
Bisdequalinium diacetate (CAS 45079-74-1), with molecular formula C44H64N4O4 and molecular weight 712.49 g/mol. IUPAC: 39,42-dimethyl-20,31-diaza-1,12-diazoniapentacyclo[30.6.2.212,19.013,18.033,38]dotetraconta-1(39),12(42),13,15,17,19(41),32(40),33,35,37-decaene diacetate.
Chemical Property Profile of Bisdequalinium diacetate
Property Insights of Bisdequalinium diacetate
The XLogP value of 7.47644 indicates that Bisdequalinium diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bisdequalinium diacetate. Following Lipinski's Rule of Five, Bisdequalinium diacetate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bisdequalinium diacetate?
The CAS number of Bisdequalinium diacetate is 45079-74-1.
What is the molecular formula of Bisdequalinium diacetate?
The molecular formula of Bisdequalinium diacetate is C44H64N4O4.
What is the molecular weight of Bisdequalinium diacetate?
The molecular weight of Bisdequalinium diacetate is 712.49 g/mol.
Where can I buy Bisdequalinium diacetate?
You can request a quote for Bisdequalinium diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bisdequalinium diacetate?
Yes, KEHONG BIO provides custom synthesis services for Bisdequalinium diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.