RefChem:900510
TL;DR: RefChem:900510 (CAS 73816-74-7) is a chemical compound with molecular formula C28H21ClN7Na3O10S3 and molecular weight 814.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;5-[[4-chloro-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methyl-2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate
Also Known As: C.I. Reactive Red 45:1, Cerven brilantni ostazinova H-3B, Cerven brilantni ostazinova H-3B [Czech], 2,7-Naphthalenedisulfonic acid, 4-(4-chloro-6-ethylphenylamino-2-s-triazinylamino)-5-hydroxy-6-(4-methyl-2-sulfophenylazo)-, trisodium salt, Trisodium 5-((4-chloro-6-(ethylphenylamino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((4-methyl-2-sulphonatophenyl)azo)naphthalene-2,7-disulphonate
| Molecular Formula | C28H21ClN7Na3O10S3 |
|---|---|
| Molecular Weight | 814.99 g/mol |
| LogP | -4.27 |
| Topological Polar Surface Area | 296.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 7 |
| Exact Mass | 814.9894 |
| Heavy Atoms | 52 |
| Complexity | 1450.0 |
Chemical Identifiers
| CAS Number | 73816-74-7 |
|---|---|
| SMILES | CCN(C1=CC=CC=C1)C2=NC(=NC(=N2)NC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(C(=C4O)N=NC5=C(C=C(C=C5)C)S(=O)(=O)[O-])S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+] |
| InChIKey | KAAYWWJCOOCCSJ-UHFFFAOYSA-K |
Product Overview
RefChem:900510 (CAS 73816-74-7), with molecular formula C28H21ClN7Na3O10S3 and molecular weight 814.99 g/mol. IUPAC: trisodium;5-[[4-chloro-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methyl-2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate.
Chemical Property Profile of RefChem:900510
Property Insights of RefChem:900510
The XLogP value of -4.27 indicates that RefChem:900510 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 296.0 Ų indicates high polarity, suggesting RefChem:900510 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:900510 has 2 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:900510?
The CAS number of RefChem:900510 is 73816-74-7.
What is the molecular formula of RefChem:900510?
The molecular formula of RefChem:900510 is C28H21ClN7Na3O10S3.
What is the molecular weight of RefChem:900510?
The molecular weight of RefChem:900510 is 814.99 g/mol.
Where can I buy RefChem:900510?
You can request a quote for RefChem:900510 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:900510?
Yes, KEHONG BIO provides custom synthesis services for RefChem:900510 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.