1,5-Pentanedisulfon-m-anisidide, 4',4''-bis(9-acridinylamino)-, dimethanesulfonate, hydrate
TL;DR: 1,5-Pentanedisulfon-m-anisidide, 4',4''-bis(9-acridinylamino)-, dimethanesulfonate, hydrate (CAS 66725-20-0) is a chemical compound with molecular formula C47H52N6O13S4 and molecular weight 1036.25 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]pentane-1,5-disulfonamide;methanesulfonic acid;hydrate
Also Known As: 1,5-Pentanedisulfon-m-anisidide, 4',4''-bis(9-acridinylamino)-, dimethanesulfonate, hydrate, Methanesulfonic acid--N~1~,N~5~-bis{4-[(acridin-9-yl)amino]-3-methoxyphenyl}pentane-1,5-disulfonamide--water (2/1/1), N,N'-bis[4-(acridin-9-ylamino)-3-methoxyphenyl]pentane-1,5-disulfonamide; methanesulfonic acid; hydrate
| Molecular Formula | C47H52N6O13S4 |
|---|---|
| Molecular Weight | 1036.25 g/mol |
| LogP | 8.131 |
| Topological Polar Surface Area | 304.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 16 |
| Exact Mass | 1036.2476 |
| Heavy Atoms | 70 |
| Complexity | 1480.0 |
Chemical Identifiers
| CAS Number | 66725-20-0 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)NS(=O)(=O)CCCCCS(=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 |
| InChIKey | VHWIMFBLDHIUTC-UHFFFAOYSA-N |
Product Overview
1,5-Pentanedisulfon-m-anisidide, 4',4''-bis(9-acridinylamino)-, dimethanesulfonate, hydrate (CAS 66725-20-0), with molecular formula C47H52N6O13S4 and molecular weight 1036.25 g/mol. IUPAC: N,N'-bis[4-(acridin-9-ylamino)-3-methoxyphenyl]pentane-1,5-disulfonamide;methanesulfonic acid;hydrate.
Chemical Property Profile of 1,5-Pentanedisulfon-m-anisidide, 4',4''-bis(9-acridinylamino)-, dimethanesulfonate, hydrate
Property Insights of 1,5-Pentanedisulfon-m-anisidide, 4',4''-bis(9-acridinylamino)-, dimethanesulfonate, hydrate
The XLogP value of 8.131 indicates that 1,5-Pentanedisulfon-m-anisidide, 4',4''-bis(9-acridinylamino)-, dimethanesulfonate, hydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 304.0 Ų indicates high polarity, suggesting 1,5-Pentanedisulfon-m-anisidide, 4',4''-bis(9-acridinylamino)-, dimethanesulfonate, hydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,5-Pentanedisulfon-m-anisidide, 4',4''-bis(9-acridinylamino)-, dimethanesulfonate, hydrate has 7 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,5-Pentanedisulfon-m-anisidide, 4',4''-bis(9-acridinylamino)-, dimethanesulfonate, hydrate?
The CAS number of 1,5-Pentanedisulfon-m-anisidide, 4',4''-bis(9-acridinylamino)-, dimethanesulfonate, hydrate is 66725-20-0.
What is the molecular formula of 1,5-Pentanedisulfon-m-anisidide, 4',4''-bis(9-acridinylamino)-, dimethanesulfonate, hydrate?
The molecular formula of 1,5-Pentanedisulfon-m-anisidide, 4',4''-bis(9-acridinylamino)-, dimethanesulfonate, hydrate is C47H52N6O13S4.
What is the molecular weight of 1,5-Pentanedisulfon-m-anisidide, 4',4''-bis(9-acridinylamino)-, dimethanesulfonate, hydrate?
The molecular weight of 1,5-Pentanedisulfon-m-anisidide, 4',4''-bis(9-acridinylamino)-, dimethanesulfonate, hydrate is 1036.25 g/mol.
Where can I buy 1,5-Pentanedisulfon-m-anisidide, 4',4''-bis(9-acridinylamino)-, dimethanesulfonate, hydrate?
You can request a quote for 1,5-Pentanedisulfon-m-anisidide, 4',4''-bis(9-acridinylamino)-, dimethanesulfonate, hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Pentanedisulfon-m-anisidide, 4',4''-bis(9-acridinylamino)-, dimethanesulfonate, hydrate?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Pentanedisulfon-m-anisidide, 4',4''-bis(9-acridinylamino)-, dimethanesulfonate, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.