C764-0458
TL;DR: C764-0458 (CAS 866873-86-1) is a chemical compound with molecular formula C21H18FN3O3S and molecular weight 411.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-fluorophenyl)-2-[(4-oxo-3-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
Also Known As: C764-0458, F1607-0459, N-(4-fluorophenyl)-2-{[6-oxo-5-(propan-2-yl)-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl]sulfanyl}acetamide, N-(4-fluorophenyl)-2-[(3-isopropyl-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl)thio]acetamide, N-(4-fluorophenyl)-2-[(4-oxo-3-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
| Molecular Formula | C21H18FN3O3S |
|---|---|
| Molecular Weight | 411.11 g/mol |
| LogP | 4.5935 |
| Topological Polar Surface Area | 77.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.1053 |
| Heavy Atoms | 29 |
| Complexity | 1262.1326 |
Chemical Identifiers
| CAS Number | 866873-86-1 |
|---|---|
| SMILES | CC(C)N1C(=O)C2=C(C3=CC=CC=C3O2)N=C1SCC(=O)NC4=CC=C(C=C4)F |
Product Overview
C764-0458 (CAS 866873-86-1), with molecular formula C21H18FN3O3S and molecular weight 411.11 g/mol. IUPAC: N-(4-fluorophenyl)-2-[(4-oxo-3-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of C764-0458
Property Insights of C764-0458
The XLogP value of 4.5935 indicates that C764-0458 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.13 Ų falls within the moderate polarity range, balancing permeability and solubility for C764-0458. Following Lipinski's Rule of Five, C764-0458 has 1 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 C764-0458?
The CAS number of C764-0458 is 866873-86-1.
What is the molecular formula of C764-0458?
The molecular formula of C764-0458 is C21H18FN3O3S.
What is the molecular weight of C764-0458?
The molecular weight of C764-0458 is 411.11 g/mol.
Where can I buy C764-0458?
You can request a quote for C764-0458 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C764-0458?
Yes, KEHONG BIO provides custom synthesis services for C764-0458 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.