RefChem:100397
TL;DR: RefChem:100397 (CAS 72361-47-8) is a chemical compound with molecular formula C11H22ClNO3 and molecular weight 251.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxylate chloride
Also Known As: Methyl 4-hydroxy-2,2,6,6-tetramethyl-4-piperidinecarboxylate hydrochloride, 4-Piperidinecarboxylic acid, 4-hydroxy-2,2,6,6-tetramethyl-, methyl ester, hydrochloride, 4-Piperidinecarboxylic acid, 4-hydroxy-2,2,6,6-tetramethyl-, methyl ester, hydrochloride (1:1), 4-Piperidinecarboxylic acid, 4-hydroxy-2,2,6,6-tetramethyl-, methylester, hydrochloride, RefChem:100397
| Molecular Formula | C11H22ClNO3 |
|---|---|
| Molecular Weight | 251.13 g/mol |
| LogP | -3.1911 |
| Topological Polar Surface Area | 63.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.12881 |
| Heavy Atoms | 16 |
| Complexity | 260.40323 |
Chemical Identifiers
| CAS Number | 72361-47-8 |
|---|---|
| SMILES | CC1(CC(CC([NH2+]1)(C)C)(C(=O)OC)O)C.[Cl-] |
Product Overview
RefChem:100397 (CAS 72361-47-8), with molecular formula C11H22ClNO3 and molecular weight 251.13 g/mol. IUPAC: methyl 4-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-carboxylate chloride.
Chemical Property Profile of RefChem:100397
Property Insights of RefChem:100397
The XLogP value of -3.1911 indicates that RefChem:100397 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.14 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:100397. Following Lipinski's Rule of Five, RefChem:100397 has 2 hydrogen bond donor(s) and 3 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:100397?
The CAS number of RefChem:100397 is 72361-47-8.
What is the molecular formula of RefChem:100397?
The molecular formula of RefChem:100397 is C11H22ClNO3.
What is the molecular weight of RefChem:100397?
The molecular weight of RefChem:100397 is 251.13 g/mol.
Where can I buy RefChem:100397?
You can request a quote for RefChem:100397 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:100397?
Yes, KEHONG BIO provides custom synthesis services for RefChem:100397 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.