5-Amino-2-dodecylbenzenesulphonic acid
TL;DR: 5-Amino-2-dodecylbenzenesulphonic acid (CAS 80822-87-3) is a chemical compound with molecular formula C18H31NO3S and molecular weight 341.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2-dodecylbenzenesulfonic acid
Also Known As: 5-Amino-2-dodecylbenzenesulphonic acid, 5-amino-2-dodecylbenzenesulfonic acid, EINECS 279-574-1, 5-amino-2-dodecylbenzenesulphonicacid, 5-Amino-2-dodecylbenzene-1-sulfonic acid
| Molecular Formula | C18H31NO3S |
|---|---|
| Molecular Weight | 341.20 g/mol |
| LogP | 4.9789 |
| Topological Polar Surface Area | 80.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 341.20245 |
| Heavy Atoms | 23 |
| Complexity | 555.3852 |
Chemical Identifiers
| CAS Number | 80822-87-3 |
|---|---|
| SMILES | CCCCCCCCCCCCC1=C(C=C(C=C1)N)S(=O)(=O)O |
Product Overview
5-Amino-2-dodecylbenzenesulphonic acid (CAS 80822-87-3), with molecular formula C18H31NO3S and molecular weight 341.20 g/mol. IUPAC: 5-amino-2-dodecylbenzenesulfonic acid.
Chemical Property Profile of 5-Amino-2-dodecylbenzenesulphonic acid
Property Insights of 5-Amino-2-dodecylbenzenesulphonic acid
The XLogP value of 4.9789 indicates that 5-Amino-2-dodecylbenzenesulphonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-2-dodecylbenzenesulphonic acid. Following Lipinski's Rule of Five, 5-Amino-2-dodecylbenzenesulphonic acid has 2 hydrogen bond donor(s) and 3 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-2-dodecylbenzenesulphonic acid?
The CAS number of 5-Amino-2-dodecylbenzenesulphonic acid is 80822-87-3.
What is the molecular formula of 5-Amino-2-dodecylbenzenesulphonic acid?
The molecular formula of 5-Amino-2-dodecylbenzenesulphonic acid is C18H31NO3S.
What is the molecular weight of 5-Amino-2-dodecylbenzenesulphonic acid?
The molecular weight of 5-Amino-2-dodecylbenzenesulphonic acid is 341.20 g/mol.
Where can I buy 5-Amino-2-dodecylbenzenesulphonic acid?
You can request a quote for 5-Amino-2-dodecylbenzenesulphonic 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-2-dodecylbenzenesulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-2-dodecylbenzenesulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.