RefChem:1063356
TL;DR: RefChem:1063356 (CAS 100482-38-0) 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.
(2-hydroxy-3-morpholin-4-ium-4-ylpropyl) 4-(propylamino)benzoate chloride
Also Known As: 4-Biphenylglyoxal,monosodium bisulphite, Benzoic acid, p-(propylamino)-, 2-hydroxy-3-morpholinopropyl ester, hydrochloride, 2-Hydroxy-3-morpholinopropyl p-(propylamino)benzoate hydrochloride, (2-hydroxy-3-morpholin-4-ium-4-ylpropyl) 4-(propylamino)benzoate;chloride, (2-hydroxy-3-morpholin-4-ium-4-ylpropyl) 4-(propylamino)benzoate chloride
| Molecular Formula | C17H27ClN2O4 |
|---|---|
| Molecular Weight | 358.17 g/mol |
| LogP | -3.05 |
| Topological Polar Surface Area | 72.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 358.16592 |
| Heavy Atoms | 24 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 100482-38-0 |
|---|---|
| SMILES | CCCNC1=CC=C(C=C1)C(=O)OCC(C[NH+]2CCOCC2)O.[Cl-] |
| InChIKey | YNRIQKBNEFWKTM-UHFFFAOYSA-N |
Product Overview
RefChem:1063356 (CAS 100482-38-0), with molecular formula C17H27ClN2O4 and molecular weight 358.17 g/mol. IUPAC: (2-hydroxy-3-morpholin-4-ium-4-ylpropyl) 4-(propylamino)benzoate chloride.
Chemical Property Profile of RefChem:1063356
Property Insights of RefChem:1063356
The XLogP value of -3.05 indicates that RefChem:1063356 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1063356. Following Lipinski's Rule of Five, RefChem:1063356 has 3 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:1063356?
The CAS number of RefChem:1063356 is 100482-38-0.
What is the molecular formula of RefChem:1063356?
The molecular formula of RefChem:1063356 is C17H27ClN2O4.
What is the molecular weight of RefChem:1063356?
The molecular weight of RefChem:1063356 is 358.17 g/mol.
Where can I buy RefChem:1063356?
You can request a quote for RefChem:1063356 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1063356?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1063356 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.