Clemizole Undecylate
TL;DR: Clemizole Undecylate (CAS 61853-30-3) is a chemical compound with molecular formula C30H42ClN3O2 and molecular weight 511.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;undecanoic acid
Also Known As: Clemizole undecylate, CLEMIZOLE UNDECANOATE, Clemizole undecylate (JAN), CLEMIZOLE UNDECYLENATE, EINECS 263-276-3
| Molecular Formula | C30H42ClN3O2 |
|---|---|
| Molecular Weight | 511.30 g/mol |
| LogP | 7.9356 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 511.29657 |
| Heavy Atoms | 36 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 61853-30-3 |
|---|---|
| SMILES | CCCCCCCCCCC(=O)O.C1CCN(C1)CC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl |
| InChIKey | WVZNTANSGMGXOL-UHFFFAOYSA-N |
Product Overview
Clemizole Undecylate (CAS 61853-30-3), with molecular formula C30H42ClN3O2 and molecular weight 511.30 g/mol. IUPAC: 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;undecanoic acid.
Chemical Property Profile of Clemizole Undecylate
Property Insights of Clemizole Undecylate
The XLogP value of 7.9356 indicates that Clemizole Undecylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.4 Ų, Clemizole Undecylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Clemizole Undecylate 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 Clemizole Undecylate?
The CAS number of Clemizole Undecylate is 61853-30-3.
What is the molecular formula of Clemizole Undecylate?
The molecular formula of Clemizole Undecylate is C30H42ClN3O2.
What is the molecular weight of Clemizole Undecylate?
The molecular weight of Clemizole Undecylate is 511.30 g/mol.
Where can I buy Clemizole Undecylate?
You can request a quote for Clemizole Undecylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Clemizole Undecylate?
Yes, KEHONG BIO provides custom synthesis services for Clemizole Undecylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.