C44H40N6O6S2.2ClH
TL;DR: C44H40N6O6S2.2ClH (CAS 66724-95-6) is a chemical compound with molecular formula C44H42Cl2N6O6S2 and molecular weight 884.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(acridin-9-ylamino)-3-[4-[2-(acridin-9-ylamino)-5-(methanesulfonamido)phenoxy]butoxy]phenyl]methanesulfonamide;dihydrochloride
Also Known As: Methanesulfonanilide, 3,3'-tetramethylenedioxybis(4-(9-acridinylamino)-, dihydrochloride, 3,3'-Tetramethylenedioxybis(4-(9-acridinylamino)methanesulfonanilide) dihydrochloride, N,N'-[Butane-1,4-diylbis(oxy{4-[(acridin-9-yl)amino]-3,1-phenylene})]dimethanesulfonamide--hydrogen chloride (1/2), N-[4-(acridin-9-ylamino)-3-[4-[2-(acridin-9-ylamino)-5-(methanesulfonamido)phenoxy]butoxy]phenyl]methanesulfonamide dihydrochloride
| Molecular Formula | C44H42Cl2N6O6S2 |
|---|---|
| Molecular Weight | 884.20 g/mol |
| LogP | 10.4012 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Exact Mass | 884.1984 |
| Heavy Atoms | 60 |
| Complexity | 1370.0 |
Chemical Identifiers
| CAS Number | 66724-95-6 |
|---|---|
| SMILES | CS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)OCCCCOC5=C(C=CC(=C5)NS(=O)(=O)C)NC6=C7C=CC=CC7=NC8=CC=CC=C86.Cl.Cl |
| InChIKey | IDXFAWVQZLDDSM-UHFFFAOYSA-N |
Product Overview
C44H40N6O6S2.2ClH (CAS 66724-95-6), with molecular formula C44H42Cl2N6O6S2 and molecular weight 884.20 g/mol. IUPAC: N-[4-(acridin-9-ylamino)-3-[4-[2-(acridin-9-ylamino)-5-(methanesulfonamido)phenoxy]butoxy]phenyl]methanesulfonamide;dihydrochloride.
Chemical Property Profile of C44H40N6O6S2.2ClH
Property Insights of C44H40N6O6S2.2ClH
The XLogP value of 10.4012 indicates that C44H40N6O6S2.2ClH is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 177.0 Ų indicates high polarity, suggesting C44H40N6O6S2.2ClH may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C44H40N6O6S2.2ClH has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C44H40N6O6S2.2ClH?
The CAS number of C44H40N6O6S2.2ClH is 66724-95-6.
What is the molecular formula of C44H40N6O6S2.2ClH?
The molecular formula of C44H40N6O6S2.2ClH is C44H42Cl2N6O6S2.
What is the molecular weight of C44H40N6O6S2.2ClH?
The molecular weight of C44H40N6O6S2.2ClH is 884.20 g/mol.
Where can I buy C44H40N6O6S2.2ClH?
You can request a quote for C44H40N6O6S2.2ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C44H40N6O6S2.2ClH?
Yes, KEHONG BIO provides custom synthesis services for C44H40N6O6S2.2ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.