Propan-2-yl 2-(3-chloro-4-fluoroanilino)propanoate
TL;DR: Propan-2-yl 2-(3-chloro-4-fluoroanilino)propanoate (CAS 52756-24-8) is a chemical compound with molecular formula C12H15ClFNO2 and molecular weight 259.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-(3-chloro-4-fluoroanilino)propanoate
Also Known As: starbld0015928, Isopropyl (3-chloro-4-fluorophenyl)alaninate, propan-2-yl 2-(3-chloro-4-fluoroanilino)propanoate, propan-2-yl 2-[(3-chloro-4-fluorophenyl)amino]propanoate, propan-2-yl N-(3-chloro-4-fluorophenyl)alaninate
| Molecular Formula | C12H15ClFNO2 |
|---|---|
| Molecular Weight | 259.08 g/mol |
| LogP | 3.2311 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.07755 |
| Heavy Atoms | 17 |
| Complexity | 409.49216 |
Chemical Identifiers
| CAS Number | 52756-24-8 |
|---|---|
| SMILES | CC(C)OC(=O)C(C)NC1=CC(=C(C=C1)F)Cl |
Product Overview
Propan-2-yl 2-(3-chloro-4-fluoroanilino)propanoate (CAS 52756-24-8), with molecular formula C12H15ClFNO2 and molecular weight 259.08 g/mol. IUPAC: propan-2-yl 2-(3-chloro-4-fluoroanilino)propanoate.
Chemical Property Profile of Propan-2-yl 2-(3-chloro-4-fluoroanilino)propanoate
Property Insights of Propan-2-yl 2-(3-chloro-4-fluoroanilino)propanoate
The XLogP value of 3.2311 indicates that Propan-2-yl 2-(3-chloro-4-fluoroanilino)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, Propan-2-yl 2-(3-chloro-4-fluoroanilino)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propan-2-yl 2-(3-chloro-4-fluoroanilino)propanoate 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 Propan-2-yl 2-(3-chloro-4-fluoroanilino)propanoate?
The CAS number of Propan-2-yl 2-(3-chloro-4-fluoroanilino)propanoate is 52756-24-8.
What is the molecular formula of Propan-2-yl 2-(3-chloro-4-fluoroanilino)propanoate?
The molecular formula of Propan-2-yl 2-(3-chloro-4-fluoroanilino)propanoate is C12H15ClFNO2.
What is the molecular weight of Propan-2-yl 2-(3-chloro-4-fluoroanilino)propanoate?
The molecular weight of Propan-2-yl 2-(3-chloro-4-fluoroanilino)propanoate is 259.08 g/mol.
Where can I buy Propan-2-yl 2-(3-chloro-4-fluoroanilino)propanoate?
You can request a quote for Propan-2-yl 2-(3-chloro-4-fluoroanilino)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-yl 2-(3-chloro-4-fluoroanilino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 2-(3-chloro-4-fluoroanilino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.