F1080-0007
TL;DR: F1080-0007 (CAS 442556-08-3) is a chemical compound with molecular formula C17H15N3O2S and molecular weight 325.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5,6-dimethyl-2,4-dioxo-3-phenylthieno[2,3-d]pyrimidin-1-yl)propanenitrile
Also Known As: F1080-0007, 3-(5,6-dimethyl-2,4-dioxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl)propanenitrile, 3-(5,6-dimethyl-2,4-dioxo-3-phenylthieno[2,3-d]pyrimidin-1-yl)propanenitrile, 3-(5,6-dimethyl-2,4-dioxo-3-phenyl-1,3-dihydrothiopheno[2,3-d]pyrimidinyl)prop anenitrile, 3-(2,3-dimethyl-4,6-dioxo-5-phenyl-1-thia-5,7-diaza-4,5,6,7-tetrahydro-7-indenyl)propiononitrile
| Molecular Formula | C17H15N3O2S |
|---|---|
| Molecular Weight | 325.09 g/mol |
| LogP | 2.74442 |
| Topological Polar Surface Area | 67.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.0885 |
| Heavy Atoms | 23 |
| Complexity | 1036.1064 |
Chemical Identifiers
| CAS Number | 442556-08-3 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=O)N2CCC#N)C3=CC=CC=C3)C |
Product Overview
F1080-0007 (CAS 442556-08-3), with molecular formula C17H15N3O2S and molecular weight 325.09 g/mol. IUPAC: 3-(5,6-dimethyl-2,4-dioxo-3-phenylthieno[2,3-d]pyrimidin-1-yl)propanenitrile.
Chemical Property Profile of F1080-0007
Property Insights of F1080-0007
The XLogP value of 2.74442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1080-0007. The TPSA of 67.79 Ų falls within the moderate polarity range, balancing permeability and solubility for F1080-0007. Following Lipinski's Rule of Five, F1080-0007 has 0 hydrogen bond donor(s) and 4 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 F1080-0007?
The CAS number of F1080-0007 is 442556-08-3.
What is the molecular formula of F1080-0007?
The molecular formula of F1080-0007 is C17H15N3O2S.
What is the molecular weight of F1080-0007?
The molecular weight of F1080-0007 is 325.09 g/mol.
Where can I buy F1080-0007?
You can request a quote for F1080-0007 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1080-0007?
Yes, KEHONG BIO provides custom synthesis services for F1080-0007 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.