KCC009
TL;DR: KCC009 (CAS 744198-19-4) is a chemical compound with molecular formula C21H22BrN3O5 and molecular weight 475.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[(2S)-1-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate
Also Known As: KCC009, KCC 009, SID:53788447, benzyl N-[(2S)-1-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate, benzyl ((2S)-1-(((3-bromo-4,5-dihydroisoxazol-5-yl)methyl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)carbamate
| Molecular Formula | C21H22BrN3O5 |
|---|---|
| Molecular Weight | 475.07 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 475.07428 |
| Heavy Atoms | 30 |
| Complexity | 603.0 |
Chemical Identifiers
| CAS Number | 744198-19-4 |
|---|---|
| SMILES | C1C(ON=C1Br)CNC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)OCC3=CC=CC=C3 |
| InChIKey | MRULUIQNANUWTK-ZVAWYAOSSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
KCC009 (CAS 744198-19-4), with molecular formula C21H22BrN3O5 and molecular weight 475.07 g/mol. IUPAC: benzyl N-[(2S)-1-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate.
Chemical Property Profile of KCC009
Property Insights of KCC009
The XLogP value of 3.2 indicates that KCC009 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for KCC009. Following Lipinski's Rule of Five, KCC009 has 3 hydrogen bond donor(s) and 6 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 KCC009?
The CAS number of KCC009 is 744198-19-4.
What is the molecular formula of KCC009?
The molecular formula of KCC009 is C21H22BrN3O5.
What is the molecular weight of KCC009?
The molecular weight of KCC009 is 475.07 g/mol.
Where can I buy KCC009?
You can request a quote for KCC009 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KCC009?
Yes, KEHONG BIO provides custom synthesis services for KCC009 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.