7H-029
TL;DR: 7H-029 (CAS 339012-01-0) is a chemical compound with molecular formula C20H14ClF3N4O and molecular weight 418.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
15-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-10,14,15-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-11-one
Also Known As: 7H-029, 11-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5,11,12,12a-tetrahydropyrazolo[3',4':4,5]pyrido[2,1-a]isoquinolin-8(6H)-one, 15-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-10,14,15-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-11-one, 11-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-5,11,12,12a-tetrahydropyrazolo[3',4':4,5]pyrido[2,1-a]isoquinolin-8(6H)-one, 15-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-10,14,15-triazatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-2,4,6,12(16),13-pentaen-11-one
| Molecular Formula | C20H14ClF3N4O |
|---|---|
| Molecular Weight | 418.08 g/mol |
| LogP | 4.2352 |
| Topological Polar Surface Area | 51.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 418.0808 |
| Heavy Atoms | 29 |
| Complexity | 1140.9952 |
Chemical Identifiers
| CAS Number | 339012-01-0 |
|---|---|
| SMILES | C1CN2C(CC3=C(C2=O)C=NN3C4=C(C=C(C=N4)C(F)(F)F)Cl)C5=CC=CC=C51 |
Product Overview
7H-029 (CAS 339012-01-0), with molecular formula C20H14ClF3N4O and molecular weight 418.08 g/mol. IUPAC: 15-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-10,14,15-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-11-one.
Chemical Property Profile of 7H-029
Property Insights of 7H-029
The XLogP value of 4.2352 indicates that 7H-029 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.02 Ų, 7H-029 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7H-029 has 0 hydrogen bond donor(s) and 3 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 7H-029?
The CAS number of 7H-029 is 339012-01-0.
What is the molecular formula of 7H-029?
The molecular formula of 7H-029 is C20H14ClF3N4O.
What is the molecular weight of 7H-029?
The molecular weight of 7H-029 is 418.08 g/mol.
Where can I buy 7H-029?
You can request a quote for 7H-029 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7H-029?
Yes, KEHONG BIO provides custom synthesis services for 7H-029 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.