Sulfuric acid, monooctyl ester, compd. with 2,2'-iminobis(ethanol) (1:1)
TL;DR: Sulfuric acid, monooctyl ester, compd. with 2,2'-iminobis(ethanol) (1:1) (CAS 67633-87-8) is a chemical compound with molecular formula C12H29NO6S and molecular weight 315.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-hydroxyethylamino)ethanol;octyl hydrogen sulfate
Also Known As: Diethanolamine octyl sulfate, Bis(2-hydroxyethyl)ammonium octyl sulphate, Sulfuric acid, monooctyl ester, compd. with 2,2'-iminobis[ethanol] (1:1), 2-(2-hydroxyethylamino)ethanol; 1-sulfooxyoctane, 2-(2-hydroxyethylamino)ethanol,octyl hydrogen sulfate
| Molecular Formula | C12H29NO6S |
|---|---|
| Molecular Weight | 315.17 g/mol |
| LogP | 0.7269 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 315.17157 |
| Heavy Atoms | 20 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 67633-87-8 |
|---|---|
| SMILES | CCCCCCCCOS(=O)(=O)O.C(CO)NCCO |
| InChIKey | FQEONVSBIOOXJN-UHFFFAOYSA-N |
Product Overview
Sulfuric acid, monooctyl ester, compd. with 2,2'-iminobis(ethanol) (1:1) (CAS 67633-87-8), with molecular formula C12H29NO6S and molecular weight 315.17 g/mol. IUPAC: 2-(2-hydroxyethylamino)ethanol;octyl hydrogen sulfate.
Chemical Property Profile of Sulfuric acid, monooctyl ester, compd. with 2,2'-iminobis(ethanol) (1:1)
Property Insights of Sulfuric acid, monooctyl ester, compd. with 2,2'-iminobis(ethanol) (1:1)
The XLogP value of 0.7269 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sulfuric acid, monooctyl ester, compd. with 2,2'-iminobis(ethanol) (1:1). The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sulfuric acid, monooctyl ester, compd. with 2,2'-iminobis(ethanol) (1:1). Following Lipinski's Rule of Five, Sulfuric acid, monooctyl ester, compd. with 2,2'-iminobis(ethanol) (1:1) has 4 hydrogen bond donor(s) and 7 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 Sulfuric acid, monooctyl ester, compd. with 2,2'-iminobis(ethanol) (1:1)?
The CAS number of Sulfuric acid, monooctyl ester, compd. with 2,2'-iminobis(ethanol) (1:1) is 67633-87-8.
What is the molecular formula of Sulfuric acid, monooctyl ester, compd. with 2,2'-iminobis(ethanol) (1:1)?
The molecular formula of Sulfuric acid, monooctyl ester, compd. with 2,2'-iminobis(ethanol) (1:1) is C12H29NO6S.
What is the molecular weight of Sulfuric acid, monooctyl ester, compd. with 2,2'-iminobis(ethanol) (1:1)?
The molecular weight of Sulfuric acid, monooctyl ester, compd. with 2,2'-iminobis(ethanol) (1:1) is 315.17 g/mol.
Where can I buy Sulfuric acid, monooctyl ester, compd. with 2,2'-iminobis(ethanol) (1:1)?
You can request a quote for Sulfuric acid, monooctyl ester, 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 Sulfuric acid, monooctyl ester, compd. with 2,2'-iminobis(ethanol) (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Sulfuric acid, monooctyl ester, compd. with 2,2'-iminobis(ethanol) (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.