Temelastine
TL;DR: Temelastine (CAS 86181-42-2) is a chemical compound with molecular formula C21H24BrN5O and molecular weight 441.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(5-bromo-3-methyl-2-pyridinyl)butylamino]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one
Also Known As: TEMELASTINE, Temelastina, Temelastinum, Temelastinum [Latin], Temelastina [Spanish]
| Molecular Formula | C21H24BrN5O |
|---|---|
| Molecular Weight | 441.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 441.11642 |
| Heavy Atoms | 28 |
| Complexity | 593.0 |
Chemical Identifiers
| CAS Number | 86181-42-2 |
|---|---|
| SMILES | CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCCCC3=NC=C(C=C3C)Br |
| InChIKey | OGEAASSLWZDQBM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Temelastine (CAS 86181-42-2), with molecular formula C21H24BrN5O and molecular weight 441.12 g/mol. IUPAC: 2-[4-(5-bromo-3-methyl-2-pyridinyl)butylamino]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one.
Chemical Property Profile of Temelastine
Property Insights of Temelastine
The XLogP value of 3.7 indicates that Temelastine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Temelastine. Following Lipinski's Rule of Five, Temelastine 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 Temelastine?
The CAS number of Temelastine is 86181-42-2.
What is the molecular formula of Temelastine?
The molecular formula of Temelastine is C21H24BrN5O.
What is the molecular weight of Temelastine?
The molecular weight of Temelastine is 441.12 g/mol.
Where can I buy Temelastine?
You can request a quote for Temelastine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Temelastine?
Yes, KEHONG BIO provides custom synthesis services for Temelastine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.