AB01304336-01
TL;DR: AB01304336-01 (CAS 714238-04-7) is a chemical compound with molecular formula C18H10ClF3N4O4S and molecular weight 470.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(4-chlorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]thiophene-2-carboxamide
Also Known As: AB01304336-01, N-(1-(4-chlorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)thiophene-2-carboxamide, N-[1-(4-CHLOROPHENYL)-2,4,6-TRIOXO-5-(TRIFLUOROMETHYL)-1H,2H,3H,4H,5H,6H,7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL]THIOPHENE-2-CARBOXAMIDE, N-[1-(4-chlorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]thiophene-2-carboxamide, N-[1-(4-chlorophenyl)-4-hydroxy-2,6-dioxo-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]thiophene-2-carboxamide
| Molecular Formula | C18H10ClF3N4O4S |
|---|---|
| Molecular Weight | 470.01 g/mol |
| LogP | 2.3804 |
| Topological Polar Surface Area | 113.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 470.00635 |
| Heavy Atoms | 31 |
| Complexity | 1315.5533 |
Chemical Identifiers
| CAS Number | 714238-04-7 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)NC2(C3=C(NC2=O)N(C(=O)NC3=O)C4=CC=C(C=C4)Cl)C(F)(F)F |
Product Overview
AB01304336-01 (CAS 714238-04-7), with molecular formula C18H10ClF3N4O4S and molecular weight 470.01 g/mol. IUPAC: N-[1-(4-chlorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]thiophene-2-carboxamide.
Chemical Property Profile of AB01304336-01
Property Insights of AB01304336-01
The XLogP value of 2.3804 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01304336-01. The TPSA of 113.06 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01304336-01. Following Lipinski's Rule of Five, AB01304336-01 has 3 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 AB01304336-01?
The CAS number of AB01304336-01 is 714238-04-7.
What is the molecular formula of AB01304336-01?
The molecular formula of AB01304336-01 is C18H10ClF3N4O4S.
What is the molecular weight of AB01304336-01?
The molecular weight of AB01304336-01 is 470.01 g/mol.
Where can I buy AB01304336-01?
You can request a quote for AB01304336-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01304336-01?
Yes, KEHONG BIO provides custom synthesis services for AB01304336-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.