C764-0047
TL;DR: C764-0047 (CAS 866873-58-7) is a chemical compound with molecular formula C26H21N3O3S and molecular weight 455.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-ethylphenyl)-2-[(4-oxo-3-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
Also Known As: C764-0047, F1607-0431, N-(2-ethylphenyl)-2-({6-oxo-5-phenyl-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-(2-ethylphenyl)-2-[(4-oxo-3-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide, N-(2-ethylphenyl)-2-[(4-oxo-3-phenyl-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl)thio]acetamide
| Molecular Formula | C26H21N3O3S |
|---|---|
| Molecular Weight | 455.13 g/mol |
| LogP | 5.4251 |
| Topological Polar Surface Area | 77.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.13037 |
| Heavy Atoms | 33 |
| Complexity | 1522.9487 |
Chemical Identifiers
| CAS Number | 866873-58-7 |
|---|---|
| SMILES | CCC1=CC=CC=C1NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4)OC5=CC=CC=C53 |
Product Overview
C764-0047 (CAS 866873-58-7), with molecular formula C26H21N3O3S and molecular weight 455.13 g/mol. IUPAC: N-(2-ethylphenyl)-2-[(4-oxo-3-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of C764-0047
Property Insights of C764-0047
The XLogP value of 5.4251 indicates that C764-0047 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 C764-0047. Following Lipinski's Rule of Five, C764-0047 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C764-0047?
The CAS number of C764-0047 is 866873-58-7.
What is the molecular formula of C764-0047?
The molecular formula of C764-0047 is C26H21N3O3S.
What is the molecular weight of C764-0047?
The molecular weight of C764-0047 is 455.13 g/mol.
Where can I buy C764-0047?
You can request a quote for C764-0047 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C764-0047?
Yes, KEHONG BIO provides custom synthesis services for C764-0047 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.