地托咪定盐酸盐一水合物
TL;DR: 地托咪定盐酸盐一水合物 (CAS 90038-05-4) is a chemical compound with molecular formula C12H17ClN2O and molecular weight 240.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
地托咪定盐酸盐一水合物
5-[(2,3-dimethylphenyl)methyl]-1H-imidazole;hydrate;hydrochloride
Also Known As: Detomidine hydrochloride monohydrate, 4- -1H-IMIDAZOLEHCLH2O, 5-(2,3-dimethylbenzyl)-1H-imidazole hydrochloride hydrate, 5-[(2,3-dimethylphenyl)methyl]-1H-imidazole;hydrate;hydrochloride, 1H-Imidazole, 4-((2,3-dimethylphenyl)methyl)-, monohydrochloride, monohydrate
| Molecular Formula | C12H17ClN2O |
|---|---|
| Molecular Weight | 240.10 g/mol |
| LogP | 2.21444 |
| Topological Polar Surface Area | 29.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.10294 |
| Heavy Atoms | 16 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 90038-05-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)CC2=CN=CN2)C.O.Cl |
| InChIKey | IQBSKEIWIRTMOT-UHFFFAOYSA-N |
Product Overview
地托咪定盐酸盐一水合物 (CAS 90038-05-4), with molecular formula C12H17ClN2O and molecular weight 240.10 g/mol. IUPAC: 5-[(2,3-dimethylphenyl)methyl]-1H-imidazole;hydrate;hydrochloride.
Chemical Property Profile of 地托咪定盐酸盐一水合物
Property Insights of 地托咪定盐酸盐一水合物
The XLogP value of 2.21444 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 地托咪定盐酸盐一水合物. With a topological polar surface area (TPSA) of 29.7 Ų, 地托咪定盐酸盐一水合物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 地托咪定盐酸盐一水合物 has 3 hydrogen bond donor(s) and 2 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 地托咪定盐酸盐一水合物?
The CAS number of 地托咪定盐酸盐一水合物 is 90038-05-4.
What is the molecular formula of 地托咪定盐酸盐一水合物?
The molecular formula of 地托咪定盐酸盐一水合物 is C12H17ClN2O.
What is the molecular weight of 地托咪定盐酸盐一水合物?
The molecular weight of 地托咪定盐酸盐一水合物 is 240.10 g/mol.
Where can I buy 地托咪定盐酸盐一水合物?
You can request a quote for 地托咪定盐酸盐一水合物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 地托咪定盐酸盐一水合物?
Yes, KEHONG BIO provides custom synthesis services for 地托咪定盐酸盐一水合物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.