2-Chloro-3-(5-imidazolyl)methylpropionate
TL;DR: 2-Chloro-3-(5-imidazolyl)methylpropionate (CAS 64407-67-6) is a chemical compound with molecular formula C7H9ClN2O2 and molecular weight 188.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-chloro-3-(1H-imidazol-5-yl)propanoate
Also Known As: Me-Climppoh, Methyl 2-chloro-3-(5-imidazolyl)propionate, 2-Chloro-3-(5-imidazolyl)methylpropionate, methyl 2-chloro-3-(1H-imidazol-5-yl)propanoate, METHYL2-CHLORO-3- PROPIONATE
| Molecular Formula | C7H9ClN2O2 |
|---|---|
| Molecular Weight | 188.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 188.03525 |
| Heavy Atoms | 12 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 64407-67-6 |
|---|---|
| SMILES | COC(=O)C(CC1=CN=CN1)Cl |
| InChIKey | JIPJJONLBKXGDE-UHFFFAOYSA-N |
Product Overview
2-Chloro-3-(5-imidazolyl)methylpropionate (CAS 64407-67-6), with molecular formula C7H9ClN2O2 and molecular weight 188.04 g/mol. IUPAC: methyl 2-chloro-3-(1H-imidazol-5-yl)propanoate.
Chemical Property Profile of 2-Chloro-3-(5-imidazolyl)methylpropionate
Property Insights of 2-Chloro-3-(5-imidazolyl)methylpropionate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-3-(5-imidazolyl)methylpropionate. With a topological polar surface area (TPSA) of 55.0 Ų, 2-Chloro-3-(5-imidazolyl)methylpropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3-(5-imidazolyl)methylpropionate has 1 hydrogen bond donor(s) and 3 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-Chloro-3-(5-imidazolyl)methylpropionate?
The CAS number of 2-Chloro-3-(5-imidazolyl)methylpropionate is 64407-67-6.
What is the molecular formula of 2-Chloro-3-(5-imidazolyl)methylpropionate?
The molecular formula of 2-Chloro-3-(5-imidazolyl)methylpropionate is C7H9ClN2O2.
What is the molecular weight of 2-Chloro-3-(5-imidazolyl)methylpropionate?
The molecular weight of 2-Chloro-3-(5-imidazolyl)methylpropionate is 188.04 g/mol.
Where can I buy 2-Chloro-3-(5-imidazolyl)methylpropionate?
You can request a quote for 2-Chloro-3-(5-imidazolyl)methylpropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-3-(5-imidazolyl)methylpropionate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-(5-imidazolyl)methylpropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.