阿司咪唑
TL;DR: 阿司咪唑 (CAS 68844-77-9) is a chemical compound with molecular formula C28H31FN4O and molecular weight 458.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿司咪唑
1-[(4-fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine
Also Known As: astemizole, Hismanal, Histaminos, Paralergin, Histamen
| Molecular Formula | C28H31FN4O |
|---|---|
| Molecular Weight | 458.25 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 458.2482 |
| Heavy Atoms | 34 |
| Complexity | 599.0 |
| Melting Point | 149.1 |
| Solubility | 432 |
Chemical Identifiers
| CAS Number | 68844-77-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F |
| InChIKey | GXDALQBWZGODGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
阿司咪唑 (CAS 68844-77-9), with molecular formula C28H31FN4O and molecular weight 458.25 g/mol. IUPAC: 1-[(4-fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine.
Chemical Property Profile of 阿司咪唑
Property Insights of 阿司咪唑
The XLogP value of 6.0 indicates that 阿司咪唑 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.3 Ų, 阿司咪唑 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 阿司咪唑 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 阿司咪唑?
The CAS number of 阿司咪唑 is 68844-77-9.
What is the molecular formula of 阿司咪唑?
The molecular formula of 阿司咪唑 is C28H31FN4O.
What is the molecular weight of 阿司咪唑?
The molecular weight of 阿司咪唑 is 458.25 g/mol.
Where can I buy 阿司咪唑?
You can request a quote for 阿司咪唑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿司咪唑?
Yes, KEHONG BIO provides custom synthesis services for 阿司咪唑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.