Lobuprofen
TL;DR: Lobuprofen (CAS 96128-90-4) is a chemical compound with molecular formula C25H34Cl2N2O2 and molecular weight 464.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate;hydrochloride
Also Known As: Lobuprofen, Lobuprofen [INN], Lobuprofen hydrochloride, 2-(4-(m-Chlorophenyl)-1-piperazinyl)ethyl (+-)-p-isobutylhydratropate, 2-(4-(3-Chlorophenyl)-1-piperazinyl)ethyl(+-)-2-(4-isobutylphenyl)propionate hydrochloride
| Molecular Formula | C25H34Cl2N2O2 |
|---|---|
| Molecular Weight | 464.20 g/mol |
| LogP | 5.43 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 464.19974 |
| Heavy Atoms | 31 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 96128-90-4 |
|---|---|
| SMILES | CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCCN2CCN(CC2)C3=CC=CC=C3Cl.Cl |
| InChIKey | BYDNBFZUFOWKEY-UHFFFAOYSA-N |
Product Overview
Lobuprofen (CAS 96128-90-4), with molecular formula C25H34Cl2N2O2 and molecular weight 464.20 g/mol. IUPAC: 2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate;hydrochloride.
Chemical Property Profile of Lobuprofen
Property Insights of Lobuprofen
The XLogP value of 5.43 indicates that Lobuprofen is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.8 Ų, Lobuprofen exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Lobuprofen has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Lobuprofen?
The CAS number of Lobuprofen is 96128-90-4.
What is the molecular formula of Lobuprofen?
The molecular formula of Lobuprofen is C25H34Cl2N2O2.
What is the molecular weight of Lobuprofen?
The molecular weight of Lobuprofen is 464.20 g/mol.
Where can I buy Lobuprofen?
You can request a quote for Lobuprofen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lobuprofen?
Yes, KEHONG BIO provides custom synthesis services for Lobuprofen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.