C49H54N4O12S2.2Na
TL;DR: C49H54N4O12S2.2Na (CAS 63059-47-2) is a chemical compound with molecular formula C49H52N4Na2O12S2 and molecular weight 998.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;(3E)-5-acetamido-3-[[4-[3-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylcarbamoyl]-4-hydroxynaphthalen-1-yl]oxyphenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate
Also Known As: 2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-3-((4-((3-(((4-(2,4-bis(1,1-dimethylpropyl)phenoxy)butyl)amino)carbonyl)-4-hydroxy-1-naphthalenyl)oxy)phenyl)azo)-4-hydroxy-, disodium salt, 2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-3-(2-(4-((3-(((4-(2,4-bis(1,1-dimethylpropyl)phenoxy)butyl)amino)carbonyl)-4-hydroxy-1-naphthalenyl)oxy)phenyl)diazenyl)-4-hydroxy-, sodium salt (1:2), 2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-3-[[4-[[3-[[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]amino]carbonyl]-4-hydroxy-1-naphthalenyl]oxy]phenyl]azo]-4-hydroxy-, disodium salt
| Molecular Formula | C49H52N4Na2O12S2 |
|---|---|
| Molecular Weight | 998.28 g/mol |
| LogP | 2.7229 |
| Topological Polar Surface Area | 252.75 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 18 |
| Exact Mass | 998.28186 |
| Heavy Atoms | 69 |
| Complexity | 3064.7493 |
Chemical Identifiers
| CAS Number | 63059-47-2 |
|---|---|
| SMILES | CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)OC4=CC=C(C=C4)N/N=C\5/C(=CC6=C(C5=O)C(=CC(=C6)S(=O)(=O)[O-])NC(=O)C)S(=O)(=O)[O-])O)C(C)(C)CC.[Na+].[Na+] |
Product Overview
C49H54N4O12S2.2Na (CAS 63059-47-2), with molecular formula C49H52N4Na2O12S2 and molecular weight 998.28 g/mol. IUPAC: disodium;(3E)-5-acetamido-3-[[4-[3-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylcarbamoyl]-4-hydroxynaphthalen-1-yl]oxyphenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate.
Chemical Property Profile of C49H54N4O12S2.2Na
Property Insights of C49H54N4O12S2.2Na
The XLogP value of 2.7229 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C49H54N4O12S2.2Na. The TPSA of 252.75 Ų indicates high polarity, suggesting C49H54N4O12S2.2Na may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C49H54N4O12S2.2Na has 4 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C49H54N4O12S2.2Na?
The CAS number of C49H54N4O12S2.2Na is 63059-47-2.
What is the molecular formula of C49H54N4O12S2.2Na?
The molecular formula of C49H54N4O12S2.2Na is C49H52N4Na2O12S2.
What is the molecular weight of C49H54N4O12S2.2Na?
The molecular weight of C49H54N4O12S2.2Na is 998.28 g/mol.
Where can I buy C49H54N4O12S2.2Na?
You can request a quote for C49H54N4O12S2.2Na directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C49H54N4O12S2.2Na?
Yes, KEHONG BIO provides custom synthesis services for C49H54N4O12S2.2Na and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.