Mdl 201053
TL;DR: Mdl 201053 (CAS 96922-64-4) is a chemical compound with molecular formula C21H23FN2O4 and molecular weight 386.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[1-[(4-fluoro-3-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Also Known As: Z-FA-FMK, Zfa-fmk, Z-Phe-ala-fmk, Z-Phe-ala-CH2F, Z-Phe-AlaCH2F
| Molecular Formula | C21H23FN2O4 |
|---|---|
| Molecular Weight | 386.16 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 386.16418 |
| Heavy Atoms | 28 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 96922-64-4 |
|---|---|
| SMILES | CC(C(=O)CF)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2 |
| InChIKey | ASXVEBPEZMSPHB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Mdl 201053 (CAS 96922-64-4), with molecular formula C21H23FN2O4 and molecular weight 386.16 g/mol. IUPAC: benzyl N-[1-[(4-fluoro-3-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate.
Chemical Property Profile of Mdl 201053
Property Insights of Mdl 201053
The XLogP value of 3.3 indicates that Mdl 201053 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Mdl 201053. Following Lipinski's Rule of Five, Mdl 201053 has 2 hydrogen bond donor(s) and 5 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 Mdl 201053?
The CAS number of Mdl 201053 is 96922-64-4.
What is the molecular formula of Mdl 201053?
The molecular formula of Mdl 201053 is C21H23FN2O4.
What is the molecular weight of Mdl 201053?
The molecular weight of Mdl 201053 is 386.16 g/mol.
Where can I buy Mdl 201053?
You can request a quote for Mdl 201053 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mdl 201053?
Yes, KEHONG BIO provides custom synthesis services for Mdl 201053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.