2H-914
TL;DR: 2H-914 (CAS 338399-24-9) is a chemical compound with molecular formula C22H18ClF3N4O4 and molecular weight 494.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxopyrimidine-5-carbonitrile
Also Known As: 2H-914, 3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}-1-(3,4-dimethoxyphenethyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile, 3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxopyrimidine-5-carbonitrile, 3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
| Molecular Formula | C22H18ClF3N4O4 |
|---|---|
| Molecular Weight | 494.10 g/mol |
| LogP | 3.25708 |
| Topological Polar Surface Area | 99.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 494.09686 |
| Heavy Atoms | 34 |
| Complexity | 1376.5187 |
Chemical Identifiers
| CAS Number | 338399-24-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2C=C(C(=O)N(C2=O)CC3=C(C=C(C=N3)C(F)(F)F)Cl)C#N)OC |
Product Overview
2H-914 (CAS 338399-24-9), with molecular formula C22H18ClF3N4O4 and molecular weight 494.10 g/mol. IUPAC: 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxopyrimidine-5-carbonitrile.
Chemical Property Profile of 2H-914
Property Insights of 2H-914
The XLogP value of 3.25708 indicates that 2H-914 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-914. Following Lipinski's Rule of Five, 2H-914 has 0 hydrogen bond donor(s) and 6 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 2H-914?
The CAS number of 2H-914 is 338399-24-9.
What is the molecular formula of 2H-914?
The molecular formula of 2H-914 is C22H18ClF3N4O4.
What is the molecular weight of 2H-914?
The molecular weight of 2H-914 is 494.10 g/mol.
Where can I buy 2H-914?
You can request a quote for 2H-914 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-914?
Yes, KEHONG BIO provides custom synthesis services for 2H-914 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.