3H-960
TL;DR: 3H-960 (CAS 338410-29-0) is a chemical compound with molecular formula C18H14ClF3N8 and molecular weight 434.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-7-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carbonitrile
Also Known As: 3H-960, 4-Amino-7-(4-(3-chloro-5-(trifluoromethyl)-2-pyridinyl)piperazino)pyrido[2,3-d]pyrimidine-6-carbonitrile, 4-amino-7-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carbonitrile, 4-amino-7-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}pyrido[2,3-d]pyrimidine-6-carbonitrile, 4-amino-7-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}pyrido[2,3-d]pyrimidine-6-carbonitrile
| Molecular Formula | C18H14ClF3N8 |
|---|---|
| Molecular Weight | 434.10 g/mol |
| LogP | 2.87248 |
| Topological Polar Surface Area | 107.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 434.0982 |
| Heavy Atoms | 30 |
| Complexity | 1152.6023 |
Chemical Identifiers
| CAS Number | 338410-29-0 |
|---|---|
| SMILES | C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C3=NC4=NC=NC(=C4C=C3C#N)N |
Product Overview
3H-960 (CAS 338410-29-0), with molecular formula C18H14ClF3N8 and molecular weight 434.10 g/mol. IUPAC: 4-amino-7-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carbonitrile.
Chemical Property Profile of 3H-960
Property Insights of 3H-960
The XLogP value of 2.87248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-960. The TPSA of 107.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-960. Following Lipinski's Rule of Five, 3H-960 has 1 hydrogen bond donor(s) and 8 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 3H-960?
The CAS number of 3H-960 is 338410-29-0.
What is the molecular formula of 3H-960?
The molecular formula of 3H-960 is C18H14ClF3N8.
What is the molecular weight of 3H-960?
The molecular weight of 3H-960 is 434.10 g/mol.
Where can I buy 3H-960?
You can request a quote for 3H-960 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-960?
Yes, KEHONG BIO provides custom synthesis services for 3H-960 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.