PMID26560530-Compound-18
TL;DR: PMID26560530-Compound-18 (CAS 744198-17-2) is a chemical compound with molecular formula C23H23BrN4O4 and molecular weight 498.09 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-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
Also Known As: PMID26560530-Compound-18, carbamic acid, [(1S)-2-[[(3-bromo-4,5-dihydro-5-isoxazolyl)methyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxoethyl]-, phenylmethyl ester, benzyl N-[(2S)-1-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate, Carbamic acid, [(1S)-2-[[(3-bromo-4,5-dihydro-5-isoxazolyl)methyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxoethyl]-, phenylmethyl ester (9CI), Nalpha-[(Benzyloxy)carbonyl]-N-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl]-L-tryptophanamide
| Molecular Formula | C23H23BrN4O4 |
|---|---|
| Molecular Weight | 498.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 498.09027 |
| Heavy Atoms | 32 |
| Complexity | 685.0 |
Chemical Identifiers
| CAS Number | 744198-17-2 |
|---|---|
| SMILES | C1C(ON=C1Br)CNC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4 |
| InChIKey | MAQVWGRATZCTBU-OZBJMMHXSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
PMID26560530-Compound-18 (CAS 744198-17-2), with molecular formula C23H23BrN4O4 and molecular weight 498.09 g/mol. IUPAC: benzyl N-[(2S)-1-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate.
Chemical Property Profile of PMID26560530-Compound-18
Property Insights of PMID26560530-Compound-18
The XLogP value of 3.7 indicates that PMID26560530-Compound-18 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for PMID26560530-Compound-18. Following Lipinski's Rule of Five, PMID26560530-Compound-18 has 3 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 PMID26560530-Compound-18?
The CAS number of PMID26560530-Compound-18 is 744198-17-2.
What is the molecular formula of PMID26560530-Compound-18?
The molecular formula of PMID26560530-Compound-18 is C23H23BrN4O4.
What is the molecular weight of PMID26560530-Compound-18?
The molecular weight of PMID26560530-Compound-18 is 498.09 g/mol.
Where can I buy PMID26560530-Compound-18?
You can request a quote for PMID26560530-Compound-18 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PMID26560530-Compound-18?
Yes, KEHONG BIO provides custom synthesis services for PMID26560530-Compound-18 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.