4'-Hydroxybupivacaine
TL;DR: 4'-Hydroxybupivacaine (CAS 54670-87-0) is a chemical compound with molecular formula C18H28N2O2 and molecular weight 304.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-N-(4-hydroxy-2,6-dimethylphenyl)piperidine-2-carboxamide
Also Known As: 4'-Hydroxybupivacaine, 4 -Hydroxybupivacaine, 1-butyl-N-(4-hydroxy-2,6-dimethylphenyl)piperidine-2-carboxamide, 2-Piperidinecarboxamide, 1-butyl-N-(4-hydroxy-2,6-dimethylphenyl)-, 1-Butyl-piperidine-2-carboxylic acid (4-hydroxy-2,6-dimethyl-phenyl)-amide
| Molecular Formula | C18H28N2O2 |
|---|---|
| Molecular Weight | 304.22 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.2151 |
| Heavy Atoms | 22 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 54670-87-0 |
|---|---|
| SMILES | CCCCN1CCCCC1C(=O)NC2=C(C=C(C=C2C)O)C |
| InChIKey | YVPPHAUZYVAQNM-UHFFFAOYSA-N |
Product Overview
4'-Hydroxybupivacaine (CAS 54670-87-0), with molecular formula C18H28N2O2 and molecular weight 304.22 g/mol. IUPAC: 1-butyl-N-(4-hydroxy-2,6-dimethylphenyl)piperidine-2-carboxamide.
Chemical Property Profile of 4'-Hydroxybupivacaine
Property Insights of 4'-Hydroxybupivacaine
The XLogP value of 3.1 indicates that 4'-Hydroxybupivacaine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 4'-Hydroxybupivacaine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Hydroxybupivacaine 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 4'-Hydroxybupivacaine?
The CAS number of 4'-Hydroxybupivacaine is 54670-87-0.
What is the molecular formula of 4'-Hydroxybupivacaine?
The molecular formula of 4'-Hydroxybupivacaine is C18H28N2O2.
What is the molecular weight of 4'-Hydroxybupivacaine?
The molecular weight of 4'-Hydroxybupivacaine is 304.22 g/mol.
Where can I buy 4'-Hydroxybupivacaine?
You can request a quote for 4'-Hydroxybupivacaine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Hydroxybupivacaine?
Yes, KEHONG BIO provides custom synthesis services for 4'-Hydroxybupivacaine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.