RefChem:1084906
TL;DR: RefChem:1084906 (CAS 70740-81-7) is a chemical compound with molecular formula C15H22ClNO3 and molecular weight 299.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-hydroxyphenyl)-1-methylpiperidin-1-ium-4-carboxylate chloride
Also Known As: Sid 189418, 4-p-Hydroxyphenyl-4-carbethoxy-1-methylpiperidine hydrochloride, ISONIPECOTIC ACID, 4-(p-HYDROXYPHENYL)-1-METHYL-, ETHYL ESTER, HYDROCHLORIDE, 4-Piperidinecarboxylic acid, 4-(p-hydroxyphenyl)-1-methyl-, ethyl ester, hydrochloride, ethyl 4-(4-hydroxyphenyl)-1-methylpiperidin-1-ium-4-carboxylate chloride
| Molecular Formula | C15H22ClNO3 |
|---|---|
| Molecular Weight | 299.13 g/mol |
| LogP | -2.49 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.1288 |
| Heavy Atoms | 20 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 70740-81-7 |
|---|---|
| SMILES | CCOC(=O)C1(CC[NH+](CC1)C)C2=CC=C(C=C2)O.[Cl-] |
| InChIKey | STLKRMSTPKHCGH-UHFFFAOYSA-N |
Product Overview
RefChem:1084906 (CAS 70740-81-7), with molecular formula C15H22ClNO3 and molecular weight 299.13 g/mol. IUPAC: ethyl 4-(4-hydroxyphenyl)-1-methylpiperidin-1-ium-4-carboxylate chloride.
Chemical Property Profile of RefChem:1084906
Property Insights of RefChem:1084906
The XLogP value of -2.49 indicates that RefChem:1084906 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 51.0 Ų, RefChem:1084906 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1084906 has 2 hydrogen bond donor(s) and 4 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:1084906?
The CAS number of RefChem:1084906 is 70740-81-7.
What is the molecular formula of RefChem:1084906?
The molecular formula of RefChem:1084906 is C15H22ClNO3.
What is the molecular weight of RefChem:1084906?
The molecular weight of RefChem:1084906 is 299.13 g/mol.
Where can I buy RefChem:1084906?
You can request a quote for RefChem:1084906 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1084906?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1084906 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.