![3-[4-Amino(butyl)anilino]-1-propanesulfonic acid structure](/static/products/547/54749-13-2.png)
3-[4-Amino(butyl)anilino]-1-propanesulfonic acid
TL;DR: 3-[4-Amino(butyl)anilino]-1-propanesulfonic acid (CAS 54749-13-2) is a chemical compound with molecular formula C13H22N2O3S and molecular weight 286.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-amino-N-butylanilino)propane-1-sulfonic acid
Also Known As: 3-[4-amino(butyl)anilino]-1-propanesulfonic acid, 3-(4-amino-N-butylanilino)propane-1-sulfonic acid, n1-butyl-n1-(3-sulfopropyl)-1,4-phenylenediamine, 3-[(4-aminophenyl)(butyl)amino]propane-1-sulfonic acid, 3-[(4-aminophenyl)-butyl-amino]propane-1-sulfonic Acid
| Molecular Formula | C13H22N2O3S |
|---|---|
| Molecular Weight | 286.14 g/mol |
| LogP | 2.1532 |
| Topological Polar Surface Area | 83.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 286.1351 |
| Heavy Atoms | 19 |
| Complexity | 471.16663 |
Chemical Identifiers
| CAS Number | 54749-13-2 |
|---|---|
| SMILES | CCCCN(CCCS(=O)(=O)O)C1=CC=C(C=C1)N |
Product Overview
3-[4-Amino(butyl)anilino]-1-propanesulfonic acid (CAS 54749-13-2), with molecular formula C13H22N2O3S and molecular weight 286.14 g/mol. IUPAC: 3-(4-amino-N-butylanilino)propane-1-sulfonic acid.
Chemical Property Profile of 3-[4-Amino(butyl)anilino]-1-propanesulfonic acid
Property Insights of 3-[4-Amino(butyl)anilino]-1-propanesulfonic acid
The XLogP value of 2.1532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-Amino(butyl)anilino]-1-propanesulfonic acid. The TPSA of 83.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-Amino(butyl)anilino]-1-propanesulfonic acid. Following Lipinski's Rule of Five, 3-[4-Amino(butyl)anilino]-1-propanesulfonic acid has 2 hydrogen bond donor(s) and 4 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 3-[4-Amino(butyl)anilino]-1-propanesulfonic acid?
The CAS number of 3-[4-Amino(butyl)anilino]-1-propanesulfonic acid is 54749-13-2.
What is the molecular formula of 3-[4-Amino(butyl)anilino]-1-propanesulfonic acid?
The molecular formula of 3-[4-Amino(butyl)anilino]-1-propanesulfonic acid is C13H22N2O3S.
What is the molecular weight of 3-[4-Amino(butyl)anilino]-1-propanesulfonic acid?
The molecular weight of 3-[4-Amino(butyl)anilino]-1-propanesulfonic acid is 286.14 g/mol.
Where can I buy 3-[4-Amino(butyl)anilino]-1-propanesulfonic acid?
You can request a quote for 3-[4-Amino(butyl)anilino]-1-propanesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-Amino(butyl)anilino]-1-propanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-Amino(butyl)anilino]-1-propanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.