2H-913
TL;DR: 2H-913 (CAS 338399-23-8) is a chemical compound with molecular formula C16H14ClF3N4O3 and molecular weight 402.07 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-(3-methoxypropyl)-2,4-dioxopyrimidine-5-carbonitrile
Also Known As: 2H-913, 3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}-1-(3-methoxypropyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile, 3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]-1-(3-methoxypropyl)-2,4-dioxopyrimidine-5-carbonitrile, 3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}-1-(3-methoxypropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile, 3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}-1-(3-methoxypropyl)-2,4-dioxopyrimidine-5-carbonitrile
| Molecular Formula | C16H14ClF3N4O3 |
|---|---|
| Molecular Weight | 402.07 g/mol |
| LogP | 2.03368 |
| Topological Polar Surface Area | 89.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.07065 |
| Heavy Atoms | 27 |
| Complexity | 992.3611 |
Chemical Identifiers
| CAS Number | 338399-23-8 |
|---|---|
| SMILES | COCCCN1C=C(C(=O)N(C1=O)CC2=C(C=C(C=N2)C(F)(F)F)Cl)C#N |
Product Overview
2H-913 (CAS 338399-23-8), with molecular formula C16H14ClF3N4O3 and molecular weight 402.07 g/mol. IUPAC: 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-1-(3-methoxypropyl)-2,4-dioxopyrimidine-5-carbonitrile.
Chemical Property Profile of 2H-913
Property Insights of 2H-913
The XLogP value of 2.03368 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-913. The TPSA of 89.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-913. Following Lipinski's Rule of Five, 2H-913 has 0 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 2H-913?
The CAS number of 2H-913 is 338399-23-8.
What is the molecular formula of 2H-913?
The molecular formula of 2H-913 is C16H14ClF3N4O3.
What is the molecular weight of 2H-913?
The molecular weight of 2H-913 is 402.07 g/mol.
Where can I buy 2H-913?
You can request a quote for 2H-913 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-913?
Yes, KEHONG BIO provides custom synthesis services for 2H-913 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.