RefChem:118162
TL;DR: RefChem:118162 (CAS 68959-44-4) is a chemical compound with molecular formula C34H24N5NaO6S2 and molecular weight 685.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 9-(4-aminoanilino)-5-anilino-7-phenylbenzo[a]phenazin-7-ium-4,10-disulfonate
Also Known As: sodium 9-(4-aminoanilino)-5-anilino-7-phenylbenzo[a]phenazin-7-ium-4,10-disulfonate, Benzo(a)phenazinium, 9-((4-aminophenyl)amino)-7-phenyl-5-(phenylamino)-4,10-disulfo-, inner salt, monosodium salt, Benzo(a)phenazinium, 9-((4-aminophenyl)amino)-7-phenyl-5-(phenylamino)-4,10-disulfo-, inner salt, sodium salt (1:1), sodium 9-[(4-aminophenyl)amino]-7-phenyl-5-(phenylamino)benzo[a]phenazin-7-ium-4,10-disulfonate, hydrogen-9-[ amino]-7-phenyl-5- -4,10-disulphonatobenzo[a]phenazinium,sodiumsalt
| Molecular Formula | C34H24N5NaO6S2 |
|---|---|
| Molecular Weight | 685.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 198.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 685.10657 |
| Heavy Atoms | 48 |
| Complexity | 1250.0 |
Chemical Identifiers
| CAS Number | 68959-44-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=CC3=[N+](C4=CC(=C(C=C4N=C3C5=C2C(=CC=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])NC6=CC=C(C=C6)N)C7=CC=CC=C7.[Na+] |
| InChIKey | SNDGGLRHQAIALM-UHFFFAOYSA-M |
Product Overview
RefChem:118162 (CAS 68959-44-4), with molecular formula C34H24N5NaO6S2 and molecular weight 685.11 g/mol. IUPAC: sodium 9-(4-aminoanilino)-5-anilino-7-phenylbenzo[a]phenazin-7-ium-4,10-disulfonate.
Chemical Property Profile of RefChem:118162
Property Insights of RefChem:118162
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:118162. The TPSA of 198.0 Ų indicates high polarity, suggesting RefChem:118162 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:118162 has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:118162?
The CAS number of RefChem:118162 is 68959-44-4.
What is the molecular formula of RefChem:118162?
The molecular formula of RefChem:118162 is C34H24N5NaO6S2.
What is the molecular weight of RefChem:118162?
The molecular weight of RefChem:118162 is 685.11 g/mol.
Where can I buy RefChem:118162?
You can request a quote for RefChem:118162 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118162?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118162 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.