5-Amino-4-anilino-2-(diethylamino)benzenesulfonic acid
TL;DR: 5-Amino-4-anilino-2-(diethylamino)benzenesulfonic acid (CAS 439094-49-2) is a chemical compound with molecular formula C16H21N3O3S and molecular weight 335.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-4-anilino-2-(diethylamino)benzenesulfonic acid
Also Known As: 5-amino-2-(diethylamino)-4-(phenylamino)benzenesulfonic acid, 5-amino-4-anilino-2-(diethylamino)benzenesulfonic acid, 5-amino-4-anilino-2-diethylamino-benzenesulfonic Acid, 632-334-3, RefChem:532305
| Molecular Formula | C16H21N3O3S |
|---|---|
| Molecular Weight | 335.13 g/mol |
| LogP | 3.1053 |
| Topological Polar Surface Area | 95.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.13037 |
| Heavy Atoms | 23 |
| Complexity | 772.65753 |
Chemical Identifiers
| CAS Number | 439094-49-2 |
|---|---|
| SMILES | CCN(CC)C1=C(C=C(C(=C1)NC2=CC=CC=C2)N)S(=O)(=O)O |
Product Overview
5-Amino-4-anilino-2-(diethylamino)benzenesulfonic acid (CAS 439094-49-2), with molecular formula C16H21N3O3S and molecular weight 335.13 g/mol. IUPAC: 5-amino-4-anilino-2-(diethylamino)benzenesulfonic acid.
Chemical Property Profile of 5-Amino-4-anilino-2-(diethylamino)benzenesulfonic acid
Property Insights of 5-Amino-4-anilino-2-(diethylamino)benzenesulfonic acid
The XLogP value of 3.1053 indicates that 5-Amino-4-anilino-2-(diethylamino)benzenesulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-4-anilino-2-(diethylamino)benzenesulfonic acid. Following Lipinski's Rule of Five, 5-Amino-4-anilino-2-(diethylamino)benzenesulfonic acid has 3 hydrogen bond donor(s) and 5 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 5-Amino-4-anilino-2-(diethylamino)benzenesulfonic acid?
The CAS number of 5-Amino-4-anilino-2-(diethylamino)benzenesulfonic acid is 439094-49-2.
What is the molecular formula of 5-Amino-4-anilino-2-(diethylamino)benzenesulfonic acid?
The molecular formula of 5-Amino-4-anilino-2-(diethylamino)benzenesulfonic acid is C16H21N3O3S.
What is the molecular weight of 5-Amino-4-anilino-2-(diethylamino)benzenesulfonic acid?
The molecular weight of 5-Amino-4-anilino-2-(diethylamino)benzenesulfonic acid is 335.13 g/mol.
Where can I buy 5-Amino-4-anilino-2-(diethylamino)benzenesulfonic acid?
You can request a quote for 5-Amino-4-anilino-2-(diethylamino)benzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-4-anilino-2-(diethylamino)benzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-4-anilino-2-(diethylamino)benzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.