Hippuric acid, 5-amino-2-(octyloxy)-, hydrochloride
TL;DR: Hippuric acid, 5-amino-2-(octyloxy)-, hydrochloride (CAS 13738-14-2) is a chemical compound with molecular formula C17H27ClN2O4 and molecular weight 358.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(carboxymethylcarbamoyl)-4-octoxyphenyl]azanium chloride
Also Known As: M & B 9489, HIPPURIC ACID, 5-AMINO-2-(OCTYLOXY)-, HYDROCHLORIDE, 5-Amino-2-(octyloxy)hippuric acid hydrochloride, [3-(carboxymethylcarbamoyl)-4-octoxyphenyl]azanium;chloride, [3-(carboxymethylcarbamoyl)-4-octoxyphenyl]azanium chloride
| Molecular Formula | C17H27ClN2O4 |
|---|---|
| Molecular Weight | 358.17 g/mol |
| LogP | -0.88 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 358.16592 |
| Heavy Atoms | 24 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 13738-14-2 |
|---|---|
| SMILES | CCCCCCCCOC1=C(C=C(C=C1)[NH3+])C(=O)NCC(=O)O.[Cl-] |
| InChIKey | HNIDGFAAGSTXID-UHFFFAOYSA-N |
Product Overview
Hippuric acid, 5-amino-2-(octyloxy)-, hydrochloride (CAS 13738-14-2), with molecular formula C17H27ClN2O4 and molecular weight 358.17 g/mol. IUPAC: [3-(carboxymethylcarbamoyl)-4-octoxyphenyl]azanium chloride.
Chemical Property Profile of Hippuric acid, 5-amino-2-(octyloxy)-, hydrochloride
Property Insights of Hippuric acid, 5-amino-2-(octyloxy)-, hydrochloride
The XLogP value of -0.88 indicates that Hippuric acid, 5-amino-2-(octyloxy)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Hippuric acid, 5-amino-2-(octyloxy)-, hydrochloride. Following Lipinski's Rule of Five, Hippuric acid, 5-amino-2-(octyloxy)-, hydrochloride 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 Hippuric acid, 5-amino-2-(octyloxy)-, hydrochloride?
The CAS number of Hippuric acid, 5-amino-2-(octyloxy)-, hydrochloride is 13738-14-2.
What is the molecular formula of Hippuric acid, 5-amino-2-(octyloxy)-, hydrochloride?
The molecular formula of Hippuric acid, 5-amino-2-(octyloxy)-, hydrochloride is C17H27ClN2O4.
What is the molecular weight of Hippuric acid, 5-amino-2-(octyloxy)-, hydrochloride?
The molecular weight of Hippuric acid, 5-amino-2-(octyloxy)-, hydrochloride is 358.17 g/mol.
Where can I buy Hippuric acid, 5-amino-2-(octyloxy)-, hydrochloride?
You can request a quote for Hippuric acid, 5-amino-2-(octyloxy)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hippuric acid, 5-amino-2-(octyloxy)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Hippuric acid, 5-amino-2-(octyloxy)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.