RefChem:327887
TL;DR: RefChem:327887 (CAS 67031-52-1) is a chemical compound with molecular formula C17H30N2O6S and molecular weight 390.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-aminobenzoyl)oxyethyl-octan-2-ylazanium;hydrogen sulfate
Also Known As: C17H28N2O2.1/2H2O4S, C17-H28-N2-O2.1/2H2-O4-S, p-Aminobenzoic acid 2-((1-methylheptyl)amino)ethyl ester hydrogen sulfate (2:1), 2-(4-aminobenzoyl)oxyethyl-octan-2-ylazanium; hydrogen sulfate, Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, hydrogen sulfate (2:1)
| Molecular Formula | C17H30N2O6S |
|---|---|
| Molecular Weight | 390.18 g/mol |
| LogP | 1.35 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 390.18246 |
| Heavy Atoms | 26 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 67031-52-1 |
|---|---|
| SMILES | CCCCCCC(C)[NH2+]CCOC(=O)C1=CC=C(C=C1)N.OS(=O)(=O)[O-] |
| InChIKey | RHRBEUOWICMLMG-UHFFFAOYSA-N |
Product Overview
RefChem:327887 (CAS 67031-52-1), with molecular formula C17H30N2O6S and molecular weight 390.18 g/mol. IUPAC: 2-(4-aminobenzoyl)oxyethyl-octan-2-ylazanium;hydrogen sulfate.
Chemical Property Profile of RefChem:327887
Property Insights of RefChem:327887
The XLogP value of 1.35 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:327887. The TPSA of 155.0 Ų indicates high polarity, suggesting RefChem:327887 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:327887 has 3 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 RefChem:327887?
The CAS number of RefChem:327887 is 67031-52-1.
What is the molecular formula of RefChem:327887?
The molecular formula of RefChem:327887 is C17H30N2O6S.
What is the molecular weight of RefChem:327887?
The molecular weight of RefChem:327887 is 390.18 g/mol.
Where can I buy RefChem:327887?
You can request a quote for RefChem:327887 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:327887?
Yes, KEHONG BIO provides custom synthesis services for RefChem:327887 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.