2-Amino-2-(hydroxymethyl)-12-oxo-3-(sulfooxy)octadecanoic acid
TL;DR: 2-Amino-2-(hydroxymethyl)-12-oxo-3-(sulfooxy)octadecanoic acid (CAS 183898-01-3) is a chemical compound with molecular formula C19H37NO8S and molecular weight 439.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-2-(hydroxymethyl)-12-oxo-3-sulfooxyoctadecanoic acid
Also Known As: 2-amino-2-(hydroxymethyl)-12-oxo-3-sulfooxy-octadecanoic Acid, Octadecanoic acid, 2-amino-2-(hydroxymethyl)-12-oxo-3-(sulfooxy)-, 2-AMINO-2-(HYDROXYMETHYL)-12-OXO-3-(SULFOOXY)OCTADECANOIC ACID
| Molecular Formula | C19H37NO8S |
|---|---|
| Molecular Weight | 439.22 g/mol |
| LogP | 2.6091 |
| Topological Polar Surface Area | 164.22 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 19 |
| Exact Mass | 439.224 |
| Heavy Atoms | 29 |
| Complexity | 580.75824 |
Chemical Identifiers
| CAS Number | 183898-01-3 |
|---|---|
| SMILES | CCCCCCC(=O)CCCCCCCCC(C(CO)(C(=O)O)N)OS(=O)(=O)O |
Product Overview
2-Amino-2-(hydroxymethyl)-12-oxo-3-(sulfooxy)octadecanoic acid (CAS 183898-01-3), with molecular formula C19H37NO8S and molecular weight 439.22 g/mol. IUPAC: 2-amino-2-(hydroxymethyl)-12-oxo-3-sulfooxyoctadecanoic acid.
Chemical Property Profile of 2-Amino-2-(hydroxymethyl)-12-oxo-3-(sulfooxy)octadecanoic acid
Property Insights of 2-Amino-2-(hydroxymethyl)-12-oxo-3-(sulfooxy)octadecanoic acid
The XLogP value of 2.6091 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-2-(hydroxymethyl)-12-oxo-3-(sulfooxy)octadecanoic acid. The TPSA of 164.22 Ų indicates high polarity, suggesting 2-Amino-2-(hydroxymethyl)-12-oxo-3-(sulfooxy)octadecanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Amino-2-(hydroxymethyl)-12-oxo-3-(sulfooxy)octadecanoic acid 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 2-Amino-2-(hydroxymethyl)-12-oxo-3-(sulfooxy)octadecanoic acid?
The CAS number of 2-Amino-2-(hydroxymethyl)-12-oxo-3-(sulfooxy)octadecanoic acid is 183898-01-3.
What is the molecular formula of 2-Amino-2-(hydroxymethyl)-12-oxo-3-(sulfooxy)octadecanoic acid?
The molecular formula of 2-Amino-2-(hydroxymethyl)-12-oxo-3-(sulfooxy)octadecanoic acid is C19H37NO8S.
What is the molecular weight of 2-Amino-2-(hydroxymethyl)-12-oxo-3-(sulfooxy)octadecanoic acid?
The molecular weight of 2-Amino-2-(hydroxymethyl)-12-oxo-3-(sulfooxy)octadecanoic acid is 439.22 g/mol.
Where can I buy 2-Amino-2-(hydroxymethyl)-12-oxo-3-(sulfooxy)octadecanoic acid?
You can request a quote for 2-Amino-2-(hydroxymethyl)-12-oxo-3-(sulfooxy)octadecanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-2-(hydroxymethyl)-12-oxo-3-(sulfooxy)octadecanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-2-(hydroxymethyl)-12-oxo-3-(sulfooxy)octadecanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.