地托咪定
TL;DR: 地托咪定 (CAS 76631-46-4) is a chemical compound with molecular formula C12H14N2 and molecular weight 186.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
地托咪定
5-[(2,3-dimethylphenyl)methyl]-1H-imidazole
Also Known As: Detomidina, Detomidinum, Dexmedetomidina, Medetomidine, Domosedan
| Molecular Formula | C12H14N2 |
|---|---|
| Molecular Weight | 186.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.11569 |
| Heavy Atoms | 14 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 76631-46-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)CC2=CN=CN2)C |
| InChIKey | RHDJRPPFURBGLQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
地托咪定 (CAS 76631-46-4), with molecular formula C12H14N2 and molecular weight 186.12 g/mol. IUPAC: 5-[(2,3-dimethylphenyl)methyl]-1H-imidazole.
Chemical Property Profile of 地托咪定
Property Insights of 地托咪定
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 地托咪定. With a topological polar surface area (TPSA) of 28.7 Ų, 地托咪定 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 地托咪定 has 1 hydrogen bond donor(s) and 1 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 地托咪定?
The CAS number of 地托咪定 is 76631-46-4.
What is the molecular formula of 地托咪定?
The molecular formula of 地托咪定 is C12H14N2.
What is the molecular weight of 地托咪定?
The molecular weight of 地托咪定 is 186.12 g/mol.
Where can I buy 地托咪定?
You can request a quote for 地托咪定 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 地托咪定?
Yes, KEHONG BIO provides custom synthesis services for 地托咪定 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.