乙基橙(游离酸)
TL;DR: 乙基橙(游离酸) (CAS 13545-67-0) is a chemical compound with molecular formula C16H19N3O3S and molecular weight 333.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙基橙(游离酸)
4-[[4-(diethylamino)phenyl]diazenyl]benzenesulfonic acid
Also Known As: Ethyl orange, Ethyl Orange (free acid), p'-Diethylamino-p-azobenzene sulfonic acid, 4-(4-diethylaminophenylazo)benzenesulfonic acid, J1.259.629D
| Molecular Formula | C16H19N3O3S |
|---|---|
| Molecular Weight | 333.11 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 333.11472 |
| Heavy Atoms | 23 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 13545-67-0 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)O |
| InChIKey | OORQUAGUOJMPCS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙基橙(游离酸) (CAS 13545-67-0), with molecular formula C16H19N3O3S and molecular weight 333.11 g/mol. IUPAC: 4-[[4-(diethylamino)phenyl]diazenyl]benzenesulfonic acid.
Chemical Property Profile of 乙基橙(游离酸)
Property Insights of 乙基橙(游离酸)
The XLogP value of 3.3 indicates that 乙基橙(游离酸) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 乙基橙(游离酸). Following Lipinski's Rule of Five, 乙基橙(游离酸) has 1 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 乙基橙(游离酸)?
The CAS number of 乙基橙(游离酸) is 13545-67-0.
What is the molecular formula of 乙基橙(游离酸)?
The molecular formula of 乙基橙(游离酸) is C16H19N3O3S.
What is the molecular weight of 乙基橙(游离酸)?
The molecular weight of 乙基橙(游离酸) is 333.11 g/mol.
Where can I buy 乙基橙(游离酸)?
You can request a quote for 乙基橙(游离酸) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙基橙(游离酸)?
Yes, KEHONG BIO provides custom synthesis services for 乙基橙(游离酸) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.