RefChem:299125
TL;DR: RefChem:299125 (CAS 72987-39-4) is a chemical compound with molecular formula C27H22ClN7O16S5 and molecular weight 894.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonic acid
Also Known As: C.I. Reactive red 195, 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-, 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-, 2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, (3E)-5-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-4-oxo-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2,7-disulfonic acid
| Molecular Formula | C27H22ClN7O16S5 |
|---|---|
| Molecular Weight | 894.94 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 410.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 14 |
| Exact Mass | 894.9415 |
| Heavy Atoms | 56 |
| Complexity | 1950.0 |
Chemical Identifiers
| CAS Number | 72987-39-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)O)NC2=NC(=NC(=N2)Cl)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C(=C4O)N=NC5=CC=C(C=C5)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O |
| InChIKey | JZWSGEZNRDXUIX-UHFFFAOYSA-N |
Product Overview
RefChem:299125 (CAS 72987-39-4), with molecular formula C27H22ClN7O16S5 and molecular weight 894.94 g/mol. IUPAC: 5-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonic acid.
Chemical Property Profile of RefChem:299125
Property Insights of RefChem:299125
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:299125. The TPSA of 410.0 Ų indicates high polarity, suggesting RefChem:299125 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:299125 has 7 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:299125?
The CAS number of RefChem:299125 is 72987-39-4.
What is the molecular formula of RefChem:299125?
The molecular formula of RefChem:299125 is C27H22ClN7O16S5.
What is the molecular weight of RefChem:299125?
The molecular weight of RefChem:299125 is 894.94 g/mol.
Where can I buy RefChem:299125?
You can request a quote for RefChem:299125 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:299125?
Yes, KEHONG BIO provides custom synthesis services for RefChem:299125 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.