1,3-Propanedisulfon-m-anisidide, 4',4''-bis(9-acridinylamino)-, dimethanesulfonate, dihydrate
TL;DR: 1,3-Propanedisulfon-m-anisidide, 4',4''-bis(9-acridinylamino)-, dimethanesulfonate, dihydrate (CAS 66725-17-5) is a chemical compound with molecular formula C45H50N6O14S4 and molecular weight 1026.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N'-bis[4-(acridin-9-ylamino)-3-methoxyphenyl]propane-1,3-disulfonamide;methanesulfonic acid;dihydrate
Also Known As: 1,3-Propanedisulfon-m-anisidide, 4',4''-bis(9-acridinylamino)-, dimethanesulfonate, dihydrate, Methanesulfonic acid--N~1~,N~3~-bis{4-[(acridin-9-yl)amino]-3-methoxyphenyl}propane-1,3-disulfonamide--water (2/1/2), N,N'-bis[4-(acridin-9-ylamino)-3-methoxyphenyl]propane-1,3-disulfonamide; methanesulfonic acid; dihydrate
| Molecular Formula | C45H50N6O14S4 |
|---|---|
| Molecular Weight | 1026.23 g/mol |
| LogP | 6.5261 |
| Topological Polar Surface Area | 305.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 14 |
| Exact Mass | 1026.2268 |
| Heavy Atoms | 69 |
| Complexity | 1450.0 |
Chemical Identifiers
| CAS Number | 66725-17-5 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)NS(=O)(=O)CCCS(=O)(=O)NC2=CC(=C(C=C2)NC3=C4C=CC=CC4=NC5=CC=CC=C53)OC)NC6=C7C=CC=CC7=NC8=CC=CC=C86.CS(=O)(=O)O.CS(=O)(=O)O.O.O |
| InChIKey | RIYBQYRYHHGYGO-UHFFFAOYSA-N |
Product Overview
1,3-Propanedisulfon-m-anisidide, 4',4''-bis(9-acridinylamino)-, dimethanesulfonate, dihydrate (CAS 66725-17-5), with molecular formula C45H50N6O14S4 and molecular weight 1026.23 g/mol. IUPAC: N,N'-bis[4-(acridin-9-ylamino)-3-methoxyphenyl]propane-1,3-disulfonamide;methanesulfonic acid;dihydrate.
Chemical Property Profile of 1,3-Propanedisulfon-m-anisidide, 4',4''-bis(9-acridinylamino)-, dimethanesulfonate, dihydrate
Property Insights of 1,3-Propanedisulfon-m-anisidide, 4',4''-bis(9-acridinylamino)-, dimethanesulfonate, dihydrate
The XLogP value of 6.5261 indicates that 1,3-Propanedisulfon-m-anisidide, 4',4''-bis(9-acridinylamino)-, dimethanesulfonate, dihydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 305.0 Ų indicates high polarity, suggesting 1,3-Propanedisulfon-m-anisidide, 4',4''-bis(9-acridinylamino)-, dimethanesulfonate, dihydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-Propanedisulfon-m-anisidide, 4',4''-bis(9-acridinylamino)-, dimethanesulfonate, dihydrate has 8 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 1,3-Propanedisulfon-m-anisidide, 4',4''-bis(9-acridinylamino)-, dimethanesulfonate, dihydrate?
The CAS number of 1,3-Propanedisulfon-m-anisidide, 4',4''-bis(9-acridinylamino)-, dimethanesulfonate, dihydrate is 66725-17-5.
What is the molecular formula of 1,3-Propanedisulfon-m-anisidide, 4',4''-bis(9-acridinylamino)-, dimethanesulfonate, dihydrate?
The molecular formula of 1,3-Propanedisulfon-m-anisidide, 4',4''-bis(9-acridinylamino)-, dimethanesulfonate, dihydrate is C45H50N6O14S4.
What is the molecular weight of 1,3-Propanedisulfon-m-anisidide, 4',4''-bis(9-acridinylamino)-, dimethanesulfonate, dihydrate?
The molecular weight of 1,3-Propanedisulfon-m-anisidide, 4',4''-bis(9-acridinylamino)-, dimethanesulfonate, dihydrate is 1026.23 g/mol.
Where can I buy 1,3-Propanedisulfon-m-anisidide, 4',4''-bis(9-acridinylamino)-, dimethanesulfonate, dihydrate?
You can request a quote for 1,3-Propanedisulfon-m-anisidide, 4',4''-bis(9-acridinylamino)-, dimethanesulfonate, dihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Propanedisulfon-m-anisidide, 4',4''-bis(9-acridinylamino)-, dimethanesulfonate, dihydrate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanedisulfon-m-anisidide, 4',4''-bis(9-acridinylamino)-, dimethanesulfonate, dihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.