Temelastine2
TL;DR: Temelastine2 (CAS 86181-44-4) is a chemical compound with molecular formula C21H24BrN5O2 and molecular weight 457.11 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-1-oxidopyridin-1-ium-3-yl)methyl]-1H-pyrimidin-6-one
Also Known As: Temelastine2, TEMELASTINE, SKF 93944, 2-[4-(5-bromo-3-methyl-pyridin-2-yl)butylamino]-5-[(2-methyl-1-oxido-pyridin-5-yl)methyl]-3H-pyrimidin-4-one, 2-[4-(5-bromo-3-methylpyridin-2-yl)butylamino]-5-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]-1H-pyrimidin-6-one
| Molecular Formula | C21H24BrN5O2 |
|---|---|
| Molecular Weight | 457.11 g/mol |
| LogP | 3.20324 |
| Topological Polar Surface Area | 97.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 457.11133 |
| Heavy Atoms | 29 |
| Complexity | 1051.4817 |
Chemical Identifiers
| CAS Number | 86181-44-4 |
|---|---|
| SMILES | CC1=[N+](C=C(C=C1)CC2=CN=C(NC2=O)NCCCCC3=NC=C(C=C3C)Br)[O-] |
Product Overview
Temelastine2 (CAS 86181-44-4), with molecular formula C21H24BrN5O2 and molecular weight 457.11 g/mol. IUPAC: 2-[4-(5-bromo-3-methyl-2-pyridinyl)butylamino]-5-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]-1H-pyrimidin-6-one.
Chemical Property Profile of Temelastine2
Property Insights of Temelastine2
The XLogP value of 3.20324 indicates that Temelastine2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.61 Ų falls within the moderate polarity range, balancing permeability and solubility for Temelastine2. Following Lipinski's Rule of Five, Temelastine2 has 2 hydrogen bond donor(s) and 5 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 Temelastine2?
The CAS number of Temelastine2 is 86181-44-4.
What is the molecular formula of Temelastine2?
The molecular formula of Temelastine2 is C21H24BrN5O2.
What is the molecular weight of Temelastine2?
The molecular weight of Temelastine2 is 457.11 g/mol.
Where can I buy Temelastine2?
You can request a quote for Temelastine2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Temelastine2?
Yes, KEHONG BIO provides custom synthesis services for Temelastine2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.