ChemDiv2_005696
TL;DR: ChemDiv2_005696 (CAS 892277-48-4) is a chemical compound with molecular formula C16H14FN3O3S and molecular weight 347.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluorophenyl)-N,N,5-trimethyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-carboxamide
Also Known As: ChemDiv2_005696, IDI1_004411, 3-(4-fluorophenyl)-N,N,5-trimethyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-carboxamide, 3-(4-fluorophenyl)-N,N,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide, 3-(4-fluorophenyl)-N,N,5-trimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
| Molecular Formula | C16H14FN3O3S |
|---|---|
| Molecular Weight | 347.07 g/mol |
| LogP | 1.88982 |
| Topological Polar Surface Area | 75.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 347.074 |
| Heavy Atoms | 24 |
| Complexity | 1061.0917 |
Chemical Identifiers
| CAS Number | 892277-48-4 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=O)N2)C3=CC=C(C=C3)F)C(=O)N(C)C |
Product Overview
ChemDiv2_005696 (CAS 892277-48-4), with molecular formula C16H14FN3O3S and molecular weight 347.07 g/mol. IUPAC: 3-(4-fluorophenyl)-N,N,5-trimethyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-carboxamide.
Chemical Property Profile of ChemDiv2_005696
Property Insights of ChemDiv2_005696
The XLogP value of 1.88982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_005696. The TPSA of 75.17 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_005696. Following Lipinski's Rule of Five, ChemDiv2_005696 has 1 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 ChemDiv2_005696?
The CAS number of ChemDiv2_005696 is 892277-48-4.
What is the molecular formula of ChemDiv2_005696?
The molecular formula of ChemDiv2_005696 is C16H14FN3O3S.
What is the molecular weight of ChemDiv2_005696?
The molecular weight of ChemDiv2_005696 is 347.07 g/mol.
Where can I buy ChemDiv2_005696?
You can request a quote for ChemDiv2_005696 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_005696?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_005696 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.