C36H31N9O9S2.2Na
TL;DR: C36H31N9O9S2.2Na (CAS 38449-92-2) is a chemical compound with molecular formula C36H29N9Na2O9S2 and molecular weight 841.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;(6Z)-4-amino-3-[[4-[4-[(2,4-diaminophenyl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate
Also Known As: EINECS 253-940-0, 2,7-Naphthalenedisulfonic acid, 4-amino-3-((4'-((2,4-diaminophenyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)-5-hydroxy-6-(phenylazo)-, disodiumsalt, 2,7-Naphthalenedisulfonic acid, 4-amino-3-(2-(4'-(2-(2,4-diaminophenyl)diazenyl)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)diazenyl)-5-hydroxy-6-(2-phenyldiazenyl)-, sodium salt (1:2), 2,7-Naphthalenedisulfonic acid, 4-amino-3-[[4'-[(2,4-diaminophenyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-(phenylazo)-, disodium salt, 4-((1-Amino-3,6-disulfo-7-(phenylazo)-8-hydroxy-2-naphthyl)azo)-4'-((2,4-diaminophenyl)azo)-3,3'-dimethoxy-1,1'-biphenyl, disodium salt
| Molecular Formula | C36H29N9Na2O9S2 |
|---|---|
| Molecular Weight | 841.13 g/mol |
| LogP | 0.4108 |
| Topological Polar Surface Area | 301.82 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 11 |
| Exact Mass | 841.1325 |
| Heavy Atoms | 58 |
| Complexity | 2766.9885 |
Chemical Identifiers
| CAS Number | 38449-92-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C=C4C=C(/C(=N\NC5=CC=CC=C5)/C(=O)C4=C3N)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)N=NC6=C(C=C(C=C6)N)N.[Na+].[Na+] |
Product Overview
C36H31N9O9S2.2Na (CAS 38449-92-2), with molecular formula C36H29N9Na2O9S2 and molecular weight 841.13 g/mol. IUPAC: disodium;(6Z)-4-amino-3-[[4-[4-[(2,4-diaminophenyl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate.
Chemical Property Profile of C36H31N9O9S2.2Na
Property Insights of C36H31N9O9S2.2Na
The XLogP value of 0.4108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C36H31N9O9S2.2Na. The TPSA of 301.82 Ų indicates high polarity, suggesting C36H31N9O9S2.2Na may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C36H31N9O9S2.2Na has 4 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C36H31N9O9S2.2Na?
The CAS number of C36H31N9O9S2.2Na is 38449-92-2.
What is the molecular formula of C36H31N9O9S2.2Na?
The molecular formula of C36H31N9O9S2.2Na is C36H29N9Na2O9S2.
What is the molecular weight of C36H31N9O9S2.2Na?
The molecular weight of C36H31N9O9S2.2Na is 841.13 g/mol.
Where can I buy C36H31N9O9S2.2Na?
You can request a quote for C36H31N9O9S2.2Na directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C36H31N9O9S2.2Na?
Yes, KEHONG BIO provides custom synthesis services for C36H31N9O9S2.2Na and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.