F1142-6876
TL;DR: F1142-6876 (CAS 500112-41-4) is a chemical compound with molecular formula C22H20N4O3S2 and molecular weight 452.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Also Known As: F1142-6876, N-(5-methyl-1,2-oxazol-3-yl)-2-({3-oxo-4-phenyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}sulfanyl)acetamide, N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide, N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide, N-(5-methylisoxazol-3-yl)-2-((4-oxo-3-phenyl-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide
| Molecular Formula | C22H20N4O3S2 |
|---|---|
| Molecular Weight | 452.10 g/mol |
| LogP | 4.35322 |
| Topological Polar Surface Area | 90.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.0977 |
| Heavy Atoms | 31 |
| Complexity | 1324.0282 |
Chemical Identifiers
| CAS Number | 500112-41-4 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=CC=C5 |
Product Overview
F1142-6876 (CAS 500112-41-4), with molecular formula C22H20N4O3S2 and molecular weight 452.10 g/mol. IUPAC: N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of F1142-6876
Property Insights of F1142-6876
The XLogP value of 4.35322 indicates that F1142-6876 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.02 Ų falls within the moderate polarity range, balancing permeability and solubility for F1142-6876. Following Lipinski's Rule of Five, F1142-6876 has 1 hydrogen bond donor(s) and 7 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 F1142-6876?
The CAS number of F1142-6876 is 500112-41-4.
What is the molecular formula of F1142-6876?
The molecular formula of F1142-6876 is C22H20N4O3S2.
What is the molecular weight of F1142-6876?
The molecular weight of F1142-6876 is 452.10 g/mol.
Where can I buy F1142-6876?
You can request a quote for F1142-6876 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1142-6876?
Yes, KEHONG BIO provides custom synthesis services for F1142-6876 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.