Benzenesulfonic acid, 4-dodecyl-, compd. with 1-amino-2-propanol (1:1)
TL;DR: Benzenesulfonic acid, 4-dodecyl-, compd. with 1-amino-2-propanol (1:1) (CAS 54590-52-2) is a chemical compound with molecular formula C21H39NO4S and molecular weight 401.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-aminopropan-2-ol;4-dodecylbenzenesulfonic acid
Also Known As: Benzenesulfonic acid, 4-dodecyl-, compd. with 1-amino-2-propanol (1:1), 1-aminopropan-2-ol; 4-dodecylbenzenesulfonic acid, 1-aminopropan-2-ol;4-dodecylbenzenesulfonic acid, 1-aminopropan-2-ol,4-dodecylbenzenesulfonic acid, 4-Dodecylbenzene-1-sulfonic acid--1-aminopropan-2-ol (1/1)
| Molecular Formula | C21H39NO4S |
|---|---|
| Molecular Weight | 401.26 g/mol |
| LogP | 4.72 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 401.25998 |
| Heavy Atoms | 27 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 54590-52-2 |
|---|---|
| SMILES | CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O.CC(CN)O |
| InChIKey | AVRGWAZPWHQHGN-UHFFFAOYSA-N |
Product Overview
Benzenesulfonic acid, 4-dodecyl-, compd. with 1-amino-2-propanol (1:1) (CAS 54590-52-2), with molecular formula C21H39NO4S and molecular weight 401.26 g/mol. IUPAC: 1-aminopropan-2-ol;4-dodecylbenzenesulfonic acid.
Chemical Property Profile of Benzenesulfonic acid, 4-dodecyl-, compd. with 1-amino-2-propanol (1:1)
Property Insights of Benzenesulfonic acid, 4-dodecyl-, compd. with 1-amino-2-propanol (1:1)
The XLogP value of 4.72 indicates that Benzenesulfonic acid, 4-dodecyl-, compd. with 1-amino-2-propanol (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, 4-dodecyl-, compd. with 1-amino-2-propanol (1:1). Following Lipinski's Rule of Five, Benzenesulfonic acid, 4-dodecyl-, compd. with 1-amino-2-propanol (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, 4-dodecyl-, compd. with 1-amino-2-propanol (1:1)?
The CAS number of Benzenesulfonic acid, 4-dodecyl-, compd. with 1-amino-2-propanol (1:1) is 54590-52-2.
What is the molecular formula of Benzenesulfonic acid, 4-dodecyl-, compd. with 1-amino-2-propanol (1:1)?
The molecular formula of Benzenesulfonic acid, 4-dodecyl-, compd. with 1-amino-2-propanol (1:1) is C21H39NO4S.
What is the molecular weight of Benzenesulfonic acid, 4-dodecyl-, compd. with 1-amino-2-propanol (1:1)?
The molecular weight of Benzenesulfonic acid, 4-dodecyl-, compd. with 1-amino-2-propanol (1:1) is 401.26 g/mol.
Where can I buy Benzenesulfonic acid, 4-dodecyl-, compd. with 1-amino-2-propanol (1:1)?
You can request a quote for Benzenesulfonic acid, 4-dodecyl-, compd. with 1-amino-2-propanol (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, 4-dodecyl-, compd. with 1-amino-2-propanol (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 4-dodecyl-, compd. with 1-amino-2-propanol (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.