Benzenesulfonic acid, 3-dodecyl-, compd. with 2-aminoethanol (1:1)
TL;DR: Benzenesulfonic acid, 3-dodecyl-, compd. with 2-aminoethanol (1:1) (CAS 68110-32-7) is a chemical compound with molecular formula C20H37NO4S and molecular weight 387.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-aminoethanol;3-dodecylbenzenesulfonic acid
Also Known As: m-Dodecylbenzenesulfonic acid, monoethanolamine salt, 2-aminoethanol; 3-dodecylbenzenesulfonic acid, Benzenesulfonic acid, 3-dodecyl-, compd. with 2-aminoethanol (1:1), benzenesulfonic acid, 3-dodecyl-, compd. with 2-aminoethanol(1:1), m-Dodecylbenzenesulphonic acid, compound with 2-aminoethanol (1:1)
| Molecular Formula | C20H37NO4S |
|---|---|
| Molecular Weight | 387.24 g/mol |
| LogP | 4.33 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 387.24432 |
| Heavy Atoms | 26 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 68110-32-7 |
|---|---|
| SMILES | CCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)O.C(CO)N |
| InChIKey | LYCYTHBQOHUTBG-UHFFFAOYSA-N |
Product Overview
Benzenesulfonic acid, 3-dodecyl-, compd. with 2-aminoethanol (1:1) (CAS 68110-32-7), with molecular formula C20H37NO4S and molecular weight 387.24 g/mol. IUPAC: 2-aminoethanol;3-dodecylbenzenesulfonic acid.
Chemical Property Profile of Benzenesulfonic acid, 3-dodecyl-, compd. with 2-aminoethanol (1:1)
Property Insights of Benzenesulfonic acid, 3-dodecyl-, compd. with 2-aminoethanol (1:1)
The XLogP value of 4.33 indicates that Benzenesulfonic acid, 3-dodecyl-, compd. with 2-aminoethanol (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, 3-dodecyl-, compd. with 2-aminoethanol (1:1). Following Lipinski's Rule of Five, Benzenesulfonic acid, 3-dodecyl-, compd. with 2-aminoethanol (1:1) 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 Benzenesulfonic acid, 3-dodecyl-, compd. with 2-aminoethanol (1:1)?
The CAS number of Benzenesulfonic acid, 3-dodecyl-, compd. with 2-aminoethanol (1:1) is 68110-32-7.
What is the molecular formula of Benzenesulfonic acid, 3-dodecyl-, compd. with 2-aminoethanol (1:1)?
The molecular formula of Benzenesulfonic acid, 3-dodecyl-, compd. with 2-aminoethanol (1:1) is C20H37NO4S.
What is the molecular weight of Benzenesulfonic acid, 3-dodecyl-, compd. with 2-aminoethanol (1:1)?
The molecular weight of Benzenesulfonic acid, 3-dodecyl-, compd. with 2-aminoethanol (1:1) is 387.24 g/mol.
Where can I buy Benzenesulfonic acid, 3-dodecyl-, compd. with 2-aminoethanol (1:1)?
You can request a quote for Benzenesulfonic acid, 3-dodecyl-, compd. with 2-aminoethanol (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 3-dodecyl-, compd. with 2-aminoethanol (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 3-dodecyl-, compd. with 2-aminoethanol (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.