2J-918
TL;DR: 2J-918 (CAS 338772-59-1) is a chemical compound with molecular formula C16H17ClF3N5O and molecular weight 387.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-3-pyridinyl]methanimidate
Also Known As: 2J-918, ethyl N-[2-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethylamino]pyridin-3-yl]methanimidate, ethyl N-{2-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)amino]-3-pyridinyl}iminoformate, (E)-(ethyl N-{2-[(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)amino]pyridin-3-yl}carboximidate), Ethyl {2-[(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)amino]pyridin-3-yl}methanimidate
| Molecular Formula | C16H17ClF3N5O |
|---|---|
| Molecular Weight | 387.11 g/mol |
| LogP | 4.3691 |
| Topological Polar Surface Area | 71.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 387.10736 |
| Heavy Atoms | 26 |
| Complexity | 754.90533 |
Chemical Identifiers
| CAS Number | 338772-59-1 |
|---|---|
| SMILES | CCOC=NC1=C(N=CC=C1)NCCNC2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
2J-918 (CAS 338772-59-1), with molecular formula C16H17ClF3N5O and molecular weight 387.11 g/mol. IUPAC: ethyl N-[2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-3-pyridinyl]methanimidate.
Chemical Property Profile of 2J-918
Property Insights of 2J-918
The XLogP value of 4.3691 indicates that 2J-918 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 2J-918. Following Lipinski's Rule of Five, 2J-918 has 2 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 2J-918?
The CAS number of 2J-918 is 338772-59-1.
What is the molecular formula of 2J-918?
The molecular formula of 2J-918 is C16H17ClF3N5O.
What is the molecular weight of 2J-918?
The molecular weight of 2J-918 is 387.11 g/mol.
Where can I buy 2J-918?
You can request a quote for 2J-918 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2J-918?
Yes, KEHONG BIO provides custom synthesis services for 2J-918 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.