1H-971
TL;DR: 1H-971 (CAS 321432-41-1) is a chemical compound with molecular formula C18H9Cl2F3N4O2 and molecular weight 440.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,4-dioxopyrimidine-5-carbonitrile
Also Known As: 1H-971, 1-(4-chlorophenyl)-3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile, 1-(4-chlorophenyl)-3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile, 3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}-1-(4-chlorophenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile, 1-(4-CHLOROPHENYL)-3-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]METHYL)-2,4-DIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBONITRILE
| Molecular Formula | C18H9Cl2F3N4O2 |
|---|---|
| Molecular Weight | 440.01 g/mol |
| LogP | 3.63978 |
| Topological Polar Surface Area | 80.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 440.00546 |
| Heavy Atoms | 29 |
| Complexity | 1242.422 |
Chemical Identifiers
| CAS Number | 321432-41-1 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C=C(C(=O)N(C2=O)CC3=C(C=C(C=N3)C(F)(F)F)Cl)C#N)Cl |
Product Overview
1H-971 (CAS 321432-41-1), with molecular formula C18H9Cl2F3N4O2 and molecular weight 440.01 g/mol. IUPAC: 1-(4-chlorophenyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,4-dioxopyrimidine-5-carbonitrile.
Chemical Property Profile of 1H-971
Property Insights of 1H-971
The XLogP value of 3.63978 indicates that 1H-971 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-971. Following Lipinski's Rule of Five, 1H-971 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 1H-971?
The CAS number of 1H-971 is 321432-41-1.
What is the molecular formula of 1H-971?
The molecular formula of 1H-971 is C18H9Cl2F3N4O2.
What is the molecular weight of 1H-971?
The molecular weight of 1H-971 is 440.01 g/mol.
Where can I buy 1H-971?
You can request a quote for 1H-971 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-971?
Yes, KEHONG BIO provides custom synthesis services for 1H-971 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.