2-丁基-5-氯-1H-咪唑-4-甲醛
TL;DR: 2-丁基-5-氯-1H-咪唑-4-甲醛 (CAS 83857-96-9) is a chemical compound with molecular formula C8H11ClN2O and molecular weight 186.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-丁基-5-氯-1H-咪唑-4-甲醛
2-butyl-5-chloro-1H-imidazole-4-carbaldehyde
Also Known As: 2-Butyl-4-chloro-5-formylimidazole, 2-BUTYL-5-CHLORO-1H-IMIDAZOLE-4-CARBALDEHYDE, imidazole, 2-butyl-4-chloro-1H-imidazole-5-carbaldehyde, Losartan EP Impurity D
| Molecular Formula | C8H11ClN2O |
|---|---|
| Molecular Weight | 186.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 186.05598 |
| Heavy Atoms | 12 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 83857-96-9 |
|---|---|
| SMILES | CCCCC1=NC(=C(N1)Cl)C=O |
| InChIKey | JLVIHQCWASNXCK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-丁基-5-氯-1H-咪唑-4-甲醛 (CAS 83857-96-9), with molecular formula C8H11ClN2O and molecular weight 186.06 g/mol. IUPAC: 2-butyl-5-chloro-1H-imidazole-4-carbaldehyde.
Chemical Property Profile of 2-丁基-5-氯-1H-咪唑-4-甲醛
Property Insights of 2-丁基-5-氯-1H-咪唑-4-甲醛
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-丁基-5-氯-1H-咪唑-4-甲醛. With a topological polar surface area (TPSA) of 45.8 Ų, 2-丁基-5-氯-1H-咪唑-4-甲醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-丁基-5-氯-1H-咪唑-4-甲醛 has 1 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 2-丁基-5-氯-1H-咪唑-4-甲醛?
The CAS number of 2-丁基-5-氯-1H-咪唑-4-甲醛 is 83857-96-9.
What is the molecular formula of 2-丁基-5-氯-1H-咪唑-4-甲醛?
The molecular formula of 2-丁基-5-氯-1H-咪唑-4-甲醛 is C8H11ClN2O.
What is the molecular weight of 2-丁基-5-氯-1H-咪唑-4-甲醛?
The molecular weight of 2-丁基-5-氯-1H-咪唑-4-甲醛 is 186.06 g/mol.
Where can I buy 2-丁基-5-氯-1H-咪唑-4-甲醛?
You can request a quote for 2-丁基-5-氯-1H-咪唑-4-甲醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-丁基-5-氯-1H-咪唑-4-甲醛?
Yes, KEHONG BIO provides custom synthesis services for 2-丁基-5-氯-1H-咪唑-4-甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.