![3-[2-(5-Chloro-2-phenoxyphenyl)diazenyl]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-2,7-naphthalenedisulfonic acid structure](/static/products/1091/109181-04-6.webp)
3-[2-(5-Chloro-2-phenoxyphenyl)diazenyl]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-2,7-naphthalenedisulfonic acid
TL;DR: 3-[2-(5-Chloro-2-phenoxyphenyl)diazenyl]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-2,7-naphthalenedisulfonic acid (CAS 109181-04-6) is a chemical compound with molecular formula C29H22ClN3O10S3 and molecular weight 703.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5-chloro-2-phenoxyphenyl)diazenyl]-4-hydroxy-5-[(4-methylphenyl)sulfonylamino]naphthalene-2,7-disulfonic acid
Also Known As: 3-[2-(5-Chloro-2-phenoxyphenyl)diazenyl]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-2,7-naphthalenedisulfonic acid, (3Z)-3-[(5-chloro-2-phenoxyphenyl)hydrazinylidene]-5-[(4-methylphenyl)sulfonylamino]-4-oxonaphthalene-2,7-disulfonic acid, 3-[(5-Chloro-2-phenoxyphenyl)diazenyl]-4-hydroxy-5-(4-methylbenzene-1-sulfonamido)naphthalene-2,7-disulfonic acid
| Molecular Formula | C29H22ClN3O10S3 |
|---|---|
| Molecular Weight | 703.02 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 234.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 703.01556 |
| Heavy Atoms | 46 |
| Complexity | 1380.0 |
Chemical Identifiers
| CAS Number | 109181-04-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C(=C3O)N=NC4=C(C=CC(=C4)Cl)OC5=CC=CC=C5)S(=O)(=O)O |
| InChIKey | IWFAGJMZYCEETM-UHFFFAOYSA-N |
Product Overview
3-[2-(5-Chloro-2-phenoxyphenyl)diazenyl]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-2,7-naphthalenedisulfonic acid (CAS 109181-04-6), with molecular formula C29H22ClN3O10S3 and molecular weight 703.02 g/mol. IUPAC: 3-[(5-chloro-2-phenoxyphenyl)diazenyl]-4-hydroxy-5-[(4-methylphenyl)sulfonylamino]naphthalene-2,7-disulfonic acid.
Chemical Property Profile of 3-[2-(5-Chloro-2-phenoxyphenyl)diazenyl]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-2,7-naphthalenedisulfonic acid
Property Insights of 3-[2-(5-Chloro-2-phenoxyphenyl)diazenyl]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-2,7-naphthalenedisulfonic acid
The XLogP value of 5.7 indicates that 3-[2-(5-Chloro-2-phenoxyphenyl)diazenyl]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-2,7-naphthalenedisulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 234.0 Ų indicates high polarity, suggesting 3-[2-(5-Chloro-2-phenoxyphenyl)diazenyl]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-2,7-naphthalenedisulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-[2-(5-Chloro-2-phenoxyphenyl)diazenyl]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-2,7-naphthalenedisulfonic acid has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[2-(5-Chloro-2-phenoxyphenyl)diazenyl]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-2,7-naphthalenedisulfonic acid?
The CAS number of 3-[2-(5-Chloro-2-phenoxyphenyl)diazenyl]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-2,7-naphthalenedisulfonic acid is 109181-04-6.
What is the molecular formula of 3-[2-(5-Chloro-2-phenoxyphenyl)diazenyl]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-2,7-naphthalenedisulfonic acid?
The molecular formula of 3-[2-(5-Chloro-2-phenoxyphenyl)diazenyl]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-2,7-naphthalenedisulfonic acid is C29H22ClN3O10S3.
What is the molecular weight of 3-[2-(5-Chloro-2-phenoxyphenyl)diazenyl]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-2,7-naphthalenedisulfonic acid?
The molecular weight of 3-[2-(5-Chloro-2-phenoxyphenyl)diazenyl]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-2,7-naphthalenedisulfonic acid is 703.02 g/mol.
Where can I buy 3-[2-(5-Chloro-2-phenoxyphenyl)diazenyl]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-2,7-naphthalenedisulfonic acid?
You can request a quote for 3-[2-(5-Chloro-2-phenoxyphenyl)diazenyl]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-2,7-naphthalenedisulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-(5-Chloro-2-phenoxyphenyl)diazenyl]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-2,7-naphthalenedisulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(5-Chloro-2-phenoxyphenyl)diazenyl]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-2,7-naphthalenedisulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.