4-(Phenylamino)-3'-sulfoazobenzene
TL;DR: 4-(Phenylamino)-3'-sulfoazobenzene (CAS 4005-68-9) is a chemical compound with molecular formula C18H15N3O3S and molecular weight 353.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-anilinophenyl)diazenyl]benzenesulfonic acid
Also Known As: Metanil yellow, Methanylgelb, Metanil-Gelb, 4-(Phenylamino)-3'-sulfoazobenzene, starbld0000858
| Molecular Formula | C18H15N3O3S |
|---|---|
| Molecular Weight | 353.08 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 99.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.0834 |
| Heavy Atoms | 25 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 4005-68-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC(=CC=C3)S(=O)(=O)O |
| InChIKey | HLISYGBBLOOIQF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Phenylamino)-3'-sulfoazobenzene (CAS 4005-68-9), with molecular formula C18H15N3O3S and molecular weight 353.08 g/mol. IUPAC: 3-[(4-anilinophenyl)diazenyl]benzenesulfonic acid.
Chemical Property Profile of 4-(Phenylamino)-3'-sulfoazobenzene
Property Insights of 4-(Phenylamino)-3'-sulfoazobenzene
The XLogP value of 4.0 indicates that 4-(Phenylamino)-3'-sulfoazobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Phenylamino)-3'-sulfoazobenzene. Following Lipinski's Rule of Five, 4-(Phenylamino)-3'-sulfoazobenzene has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(Phenylamino)-3'-sulfoazobenzene?
The CAS number of 4-(Phenylamino)-3'-sulfoazobenzene is 4005-68-9.
What is the molecular formula of 4-(Phenylamino)-3'-sulfoazobenzene?
The molecular formula of 4-(Phenylamino)-3'-sulfoazobenzene is C18H15N3O3S.
What is the molecular weight of 4-(Phenylamino)-3'-sulfoazobenzene?
The molecular weight of 4-(Phenylamino)-3'-sulfoazobenzene is 353.08 g/mol.
Where can I buy 4-(Phenylamino)-3'-sulfoazobenzene?
You can request a quote for 4-(Phenylamino)-3'-sulfoazobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Phenylamino)-3'-sulfoazobenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-(Phenylamino)-3'-sulfoazobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.