Benzenemethanesulfonic acid, dodecyl-, compd. with 2,2'-iminobis(ethanol) (1:1)
TL;DR: Benzenemethanesulfonic acid, dodecyl-, compd. with 2,2'-iminobis(ethanol) (1:1) (CAS 68585-98-8) is a chemical compound with molecular formula C23H43NO5S and molecular weight 445.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-dodecylphenyl)methanesulfonic acid;2-(2-hydroxyethylamino)ethanol
Also Known As: N,N-Diethanolamine dodecylbenzyl sulfonate, Benzenemethanesulfonic acid, dodecyl-, compd. with 2,2'-iminobis[ethanol] (1:1), Dodecyl toluenesulphonate, compound with 2,2'-iminodiethanol (1:1), Benzenemethanesulfonic acid, dodecyl-, compd. with 2,2'-iminobis(ethanol) (1:1), (2-Dodecylphenyl)methanesulfonic acid--2,2'-azanediyldi(ethan-1-ol) (1/1)
| Molecular Formula | C23H43NO5S |
|---|---|
| Molecular Weight | 445.29 g/mol |
| LogP | 4.0984 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 17 |
| Exact Mass | 445.2862 |
| Heavy Atoms | 30 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 68585-98-8 |
|---|---|
| SMILES | CCCCCCCCCCCCC1=CC=CC=C1CS(=O)(=O)O.C(CO)NCCO |
| InChIKey | KQHYQWQOSXUZHD-UHFFFAOYSA-N |
Product Overview
Benzenemethanesulfonic acid, dodecyl-, compd. with 2,2'-iminobis(ethanol) (1:1) (CAS 68585-98-8), with molecular formula C23H43NO5S and molecular weight 445.29 g/mol. IUPAC: (2-dodecylphenyl)methanesulfonic acid;2-(2-hydroxyethylamino)ethanol.
Chemical Property Profile of Benzenemethanesulfonic acid, dodecyl-, compd. with 2,2'-iminobis(ethanol) (1:1)
Property Insights of Benzenemethanesulfonic acid, dodecyl-, compd. with 2,2'-iminobis(ethanol) (1:1)
The XLogP value of 4.0984 indicates that Benzenemethanesulfonic acid, dodecyl-, compd. with 2,2'-iminobis(ethanol) (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenemethanesulfonic acid, dodecyl-, compd. with 2,2'-iminobis(ethanol) (1:1). Following Lipinski's Rule of Five, Benzenemethanesulfonic acid, dodecyl-, compd. with 2,2'-iminobis(ethanol) (1:1) has 4 hydrogen bond donor(s) and 6 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 Benzenemethanesulfonic acid, dodecyl-, compd. with 2,2'-iminobis(ethanol) (1:1)?
The CAS number of Benzenemethanesulfonic acid, dodecyl-, compd. with 2,2'-iminobis(ethanol) (1:1) is 68585-98-8.
What is the molecular formula of Benzenemethanesulfonic acid, dodecyl-, compd. with 2,2'-iminobis(ethanol) (1:1)?
The molecular formula of Benzenemethanesulfonic acid, dodecyl-, compd. with 2,2'-iminobis(ethanol) (1:1) is C23H43NO5S.
What is the molecular weight of Benzenemethanesulfonic acid, dodecyl-, compd. with 2,2'-iminobis(ethanol) (1:1)?
The molecular weight of Benzenemethanesulfonic acid, dodecyl-, compd. with 2,2'-iminobis(ethanol) (1:1) is 445.29 g/mol.
Where can I buy Benzenemethanesulfonic acid, dodecyl-, compd. with 2,2'-iminobis(ethanol) (1:1)?
You can request a quote for Benzenemethanesulfonic acid, dodecyl-, compd. with 2,2'-iminobis(ethanol) (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanesulfonic acid, dodecyl-, compd. with 2,2'-iminobis(ethanol) (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanesulfonic acid, dodecyl-, compd. with 2,2'-iminobis(ethanol) (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.