RefChem:331285
TL;DR: RefChem:331285 (CAS 73758-58-4) is a chemical compound with molecular formula C12H19ClN2O4 and molecular weight 290.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-carboxypropyl-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]azanium chloride
Also Known As: Pyridoxyl-gamma-aminobuttersaeure hydrochlorid, Pyridoxyl-gamma-aminobuttersaeure hydrochlorid [German], 4-(3-Hydroxy-5-hydroxymethyl-2-methyl-4-pyridyl)methylaminobutyric acid, hydrochloride, Butyric acid, 4-(((3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl)methyl)amino)-, hydrochloride, [3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methyl-(4-hydroxy-4-oxobutyl)azanium chloride
| Molecular Formula | C12H19ClN2O4 |
|---|---|
| Molecular Weight | 290.10 g/mol |
| LogP | -3.48 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 290.10333 |
| Heavy Atoms | 19 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 73758-58-4 |
|---|---|
| SMILES | CC1=NC=C(C(=C1O)C[NH2+]CCCC(=O)O)CO.[Cl-] |
| InChIKey | HXXPBGSSNMRGRY-UHFFFAOYSA-N |
Product Overview
RefChem:331285 (CAS 73758-58-4), with molecular formula C12H19ClN2O4 and molecular weight 290.10 g/mol. IUPAC: 3-carboxypropyl-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]azanium chloride.
Chemical Property Profile of RefChem:331285
Property Insights of RefChem:331285
The XLogP value of -3.48 indicates that RefChem:331285 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:331285. Following Lipinski's Rule of Five, RefChem:331285 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 RefChem:331285?
The CAS number of RefChem:331285 is 73758-58-4.
What is the molecular formula of RefChem:331285?
The molecular formula of RefChem:331285 is C12H19ClN2O4.
What is the molecular weight of RefChem:331285?
The molecular weight of RefChem:331285 is 290.10 g/mol.
Where can I buy RefChem:331285?
You can request a quote for RefChem:331285 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331285?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331285 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.