C46H44N6O6S2.2ClH.4H2O
TL;DR: C46H44N6O6S2.2ClH.4H2O (CAS 66757-02-6) is a chemical compound with molecular formula C46H46Cl2N6O6S2 and molecular weight 912.22974 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(acridin-9-ylamino)-3-methoxyphenyl]-[6-[[4-(acridin-9-ylamino)-3-methoxyphenyl]azaniumyl]sulfonylhexylsulfonyl]azanium dichloride
Also Known As: 1,6-Hexanedisulfon-m-anisidide, 4',4''-bis(9-acridinylamino)-, dihydrochloride, tetrahydrate, [4-(acridin-9-ylamino)-3-methoxyphenyl]-[6-[[4-(acridin-9-ylamino)-3-methoxyphenyl]azaniumyl]sulfonylhexylsulfonyl]azanium dichloride, 1,6-HEXANEDISULFON-m-ANISIDIDE, 4',4''-BIS(9-ACRIDINYLAMINO)-, DIHYDROCHLORIDE,
Technical Specifications
| Molecular Formula | C46H46Cl2N6O6S2 |
| Molecular Weight | 912.22974 g/mol |
| XLogP | 1.91 |
| Topological Polar Surface Area (TPSA) | 187.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 17 |
| Exact Mass | 912.22974 Da |
| Heavy Atoms | 62 |
| Complexity | 1400.0 |
| SMILES | COC1=C(C=CC(=C1)[NH2+]S(=O)(=O)CCCCCCS(=O)(=O)[NH2+]C2=CC(=C(C=C2)NC3=C4C=CC=CC4=NC5=CC=CC=C53)OC)NC6=C7C=CC=CC7=NC8=CC=CC=C86.[Cl-].[Cl-] |
| InChIKey | BQXGZFTUPXQZHK-UHFFFAOYSA-N |
Chemical Property Profile of C46H44N6O6S2.2ClH.4H2O
Property Insights of C46H44N6O6S2.2ClH.4H2O
The XLogP value of 1.91 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C46H44N6O6S2.2ClH.4H2O. The TPSA of 187.0 Ų indicates high polarity, suggesting C46H44N6O6S2.2ClH.4H2O may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C46H44N6O6S2.2ClH.4H2O has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C46H44N6O6S2.2ClH.4H2O?
The CAS number of C46H44N6O6S2.2ClH.4H2O is 66757-02-6.
What is the molecular formula of C46H44N6O6S2.2ClH.4H2O?
The molecular formula of C46H44N6O6S2.2ClH.4H2O is C46H46Cl2N6O6S2.
What is the molecular weight of C46H44N6O6S2.2ClH.4H2O?
The molecular weight of C46H44N6O6S2.2ClH.4H2O is 912.22974 g/mol.
Where can I buy C46H44N6O6S2.2ClH.4H2O?
You can request a quote for C46H44N6O6S2.2ClH.4H2O directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C46H44N6O6S2.2ClH.4H2O?
Yes, CoreyChem provides custom synthesis services for C46H44N6O6S2.2ClH.4H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.