Methyl 3-(4-chlorophenyl)-2-isocyanopropanoate
TL;DR: Methyl 3-(4-chlorophenyl)-2-isocyanopropanoate (CAS 120314-12-7) is a chemical compound with molecular formula C11H10ClNO2 and molecular weight 223.04001 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-(4-chlorophenyl)-2-isocyanopropanoate
Also Known As: starbld0036760, methyl 3-(4-chlorophenyl)-2-isocyanopropanoate, 3-(4-chlorophenyl)-2-isocyanobutanoate, Methyl 3-(4-chlorophenyl)-2-isocyano-propanoate, METHYL-2-ISOCYANO-3-(4-CHLORO-PHENYL)-PROPIONATE
Technical Specifications
| Molecular Formula | C11H10ClNO2 |
| Molecular Weight | 223.04001 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.04001 Da |
| Heavy Atoms | 15 |
| Complexity | 263.0 |
| SMILES | COC(=O)C(CC1=CC=C(C=C1)Cl)[N+]#[C-] |
| InChIKey | XIXDXCNDQCGKDG-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3-(4-chlorophenyl)-2-isocyanopropanoate
Property Insights of Methyl 3-(4-chlorophenyl)-2-isocyanopropanoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(4-chlorophenyl)-2-isocyanopropanoate. With a topological polar surface area (TPSA) of 30.7 Ų, Methyl 3-(4-chlorophenyl)-2-isocyanopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(4-chlorophenyl)-2-isocyanopropanoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 3-(4-chlorophenyl)-2-isocyanopropanoate?
The CAS number of Methyl 3-(4-chlorophenyl)-2-isocyanopropanoate is 120314-12-7.
What is the molecular formula of Methyl 3-(4-chlorophenyl)-2-isocyanopropanoate?
The molecular formula of Methyl 3-(4-chlorophenyl)-2-isocyanopropanoate is C11H10ClNO2.
What is the molecular weight of Methyl 3-(4-chlorophenyl)-2-isocyanopropanoate?
The molecular weight of Methyl 3-(4-chlorophenyl)-2-isocyanopropanoate is 223.04001 g/mol.
Where can I buy Methyl 3-(4-chlorophenyl)-2-isocyanopropanoate?
You can request a quote for Methyl 3-(4-chlorophenyl)-2-isocyanopropanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3-(4-chlorophenyl)-2-isocyanopropanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 3-(4-chlorophenyl)-2-isocyanopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.