C39H29N9O12S3.xNa
TL;DR: C39H29N9O12S3.xNa (CAS 72245-55-7) is a chemical compound with molecular formula C39H26N9Na3O12S3 and molecular weight 977.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;(6Z)-4-amino-3-[[4-[[4-[(2E)-2-(7-amino-1-oxo-3-sulfonatonaphthalen-2-ylidene)hydrazinyl]phenyl]carbamoyl]phenyl]diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate
Also Known As: EINECS 303-241-2, 2,7-Naphthalenedisulfonic acid, 4-amino-3-[[4-[[[4-[(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo]phenyl]amino]carbonyl]phenyl]azo]-5-hydroxy-6-(phenylazo)-, sodium salt, 2,7-Naphthalenedisulfonic acid, 4-amino-3-((4-(((4-((7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo)phenyl)amino)carbonyl)phenyl)azo)-5-hydroxy-6-(phenylazo)-, sodium salt, 2,7-Naphthalenedisulfonic acid, 4-amino-3-(2-(4-(((4-(2-(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)phenyl)amino)carbonyl)phenyl)diazenyl)-5-hydroxy-6-(2-phenyldiazenyl)-, sodium salt (1:?), 2,7-Naphthalenedisulfonic acid, 4-amino-3-[[4-[[[4-[(7-amino- 1-hydroxy-3-sulfo-2-naphthalenyl)azo]phenyl]amino ]carbonyl]phenyl]azo]-5-hydroxy-6-(phenylazo) -, sodium salt
| Molecular Formula | C39H26N9Na3O12S3 |
|---|---|
| Molecular Weight | 977.06 g/mol |
| LogP | -4.4642 |
| Topological Polar Surface Area | 360.38 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 11 |
| Exact Mass | 977.0556 |
| Heavy Atoms | 66 |
| Complexity | 3296.7644 |
Chemical Identifiers
| CAS Number | 72245-55-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N/N=C/2\C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)C(=O)NC5=CC=C(C=C5)N/N=C\6/C(=CC7=C(C6=O)C=C(C=C7)N)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
Product Overview
C39H29N9O12S3.xNa (CAS 72245-55-7), with molecular formula C39H26N9Na3O12S3 and molecular weight 977.06 g/mol. IUPAC: trisodium;(6Z)-4-amino-3-[[4-[[4-[(2E)-2-(7-amino-1-oxo-3-sulfonatonaphthalen-2-ylidene)hydrazinyl]phenyl]carbamoyl]phenyl]diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate.
Chemical Property Profile of C39H29N9O12S3.xNa
Property Insights of C39H29N9O12S3.xNa
The XLogP value of -4.4642 indicates that C39H29N9O12S3.xNa is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 360.38 Ų indicates high polarity, suggesting C39H29N9O12S3.xNa may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C39H29N9O12S3.xNa has 5 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C39H29N9O12S3.xNa?
The CAS number of C39H29N9O12S3.xNa is 72245-55-7.
What is the molecular formula of C39H29N9O12S3.xNa?
The molecular formula of C39H29N9O12S3.xNa is C39H26N9Na3O12S3.
What is the molecular weight of C39H29N9O12S3.xNa?
The molecular weight of C39H29N9O12S3.xNa is 977.06 g/mol.
Where can I buy C39H29N9O12S3.xNa?
You can request a quote for C39H29N9O12S3.xNa directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C39H29N9O12S3.xNa?
Yes, KEHONG BIO provides custom synthesis services for C39H29N9O12S3.xNa and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.