RefChem:327831
TL;DR: RefChem:327831 (CAS 73713-65-2) is a chemical compound with molecular formula C21H31Cl2N3O4 and molecular weight 459.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-[4-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-1-ium-4-yl]methylamino]benzoyl]oxyethyl]azanium dichloride
Also Known As: Pyridoxyl-4-procain dihydrochlorid, Pyridoxyl-4-procain dihydrochlorid [German], Benzoic acid, p-(3-hydroxy-5-hydroxymethyl-2-methyl-4-pyridylmethyl)amino-, 2-diethylaminoethyl ester, dihydrochloride, Benzoic acid, 4-[[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]amino]-, 2-(diethylamino)ethyl ester, dihydrochloride, diethyl-[2-[4-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-1-ium-4-yl]methylamino]benzoyl]oxyethyl]azanium dichloride
| Molecular Formula | C21H31Cl2N3O4 |
|---|---|
| Molecular Weight | 459.17 g/mol |
| LogP | -5.29 |
| Topological Polar Surface Area | 97.4 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 459.16916 |
| Heavy Atoms | 30 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 73713-65-2 |
|---|---|
| SMILES | CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NCC2=C(C(=[NH+]C=C2CO)C)O.[Cl-].[Cl-] |
| InChIKey | XKHPSMULWQNEEO-UHFFFAOYSA-N |
Product Overview
RefChem:327831 (CAS 73713-65-2), with molecular formula C21H31Cl2N3O4 and molecular weight 459.17 g/mol. IUPAC: diethyl-[2-[4-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-1-ium-4-yl]methylamino]benzoyl]oxyethyl]azanium dichloride.
Chemical Property Profile of RefChem:327831
Property Insights of RefChem:327831
The XLogP value of -5.29 indicates that RefChem:327831 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 97.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:327831. Following Lipinski's Rule of Five, RefChem:327831 has 5 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:327831?
The CAS number of RefChem:327831 is 73713-65-2.
What is the molecular formula of RefChem:327831?
The molecular formula of RefChem:327831 is C21H31Cl2N3O4.
What is the molecular weight of RefChem:327831?
The molecular weight of RefChem:327831 is 459.17 g/mol.
Where can I buy RefChem:327831?
You can request a quote for RefChem:327831 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:327831?
Yes, KEHONG BIO provides custom synthesis services for RefChem:327831 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.