Methyl 2-(acetylamino)-3-chloropropionate
TL;DR: Methyl 2-(acetylamino)-3-chloropropionate (CAS 88753-04-2) is a chemical compound with molecular formula C6H10ClNO3 and molecular weight 179.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-acetamido-3-chloropropanoate
Also Known As: Methyl 2-acetylamino-3-chloropropionate, null, methyl 2-acetamido-3-chloropropanoate, NACA, Thioridazine-d3 2-Sulfone
| Molecular Formula | C6H10ClNO3 |
|---|---|
| Molecular Weight | 179.03 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 179.03493 |
| Heavy Atoms | 11 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 88753-04-2 |
|---|---|
| SMILES | CC(=O)NC(CCl)C(=O)OC |
| InChIKey | IGKDMFMKAAPDDN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-(acetylamino)-3-chloropropionate (CAS 88753-04-2), with molecular formula C6H10ClNO3 and molecular weight 179.03 g/mol. IUPAC: methyl 2-acetamido-3-chloropropanoate.
Chemical Property Profile of Methyl 2-(acetylamino)-3-chloropropionate
Property Insights of Methyl 2-(acetylamino)-3-chloropropionate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(acetylamino)-3-chloropropionate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 2-(acetylamino)-3-chloropropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(acetylamino)-3-chloropropionate 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 Methyl 2-(acetylamino)-3-chloropropionate?
The CAS number of Methyl 2-(acetylamino)-3-chloropropionate is 88753-04-2.
What is the molecular formula of Methyl 2-(acetylamino)-3-chloropropionate?
The molecular formula of Methyl 2-(acetylamino)-3-chloropropionate is C6H10ClNO3.
What is the molecular weight of Methyl 2-(acetylamino)-3-chloropropionate?
The molecular weight of Methyl 2-(acetylamino)-3-chloropropionate is 179.03 g/mol.
Where can I buy Methyl 2-(acetylamino)-3-chloropropionate?
You can request a quote for Methyl 2-(acetylamino)-3-chloropropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(acetylamino)-3-chloropropionate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(acetylamino)-3-chloropropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.