8L-942
TL;DR: 8L-942 (CAS 321998-79-2) is a chemical compound with molecular formula C23H23ClF3N5O4 and molecular weight 525.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-5-(pyrrolidine-1-carbonyl)-3-oxa-4,10-diazatetracyclo[5.5.1.02,6.08,12]tridec-4-ene-9,11-dione
Also Known As: 8L-942, 10-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-5-(1-pyrrolidinylcarbonyl)-3-oxa-4,10-diazatetracyclo[5.5.1.0~2,6~.0~8,12~]tridec-4-ene-9,11-dione, 10-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-5-(pyrrolidine-1-carbonyl)-3-oxa-4,10-diazatetracyclo[5.5.1.0^{2,6}.0^{8,12}]tridec-4-ene-9,11-dione, 10-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-5-(pyrrolidine-1-carbonyl)-3-oxa-4,10-diazatetracyclo[5.5.1.02,6.08,12]tridec-4-ene-9,11-dione
| Molecular Formula | C23H23ClF3N5O4 |
|---|---|
| Molecular Weight | 525.14 g/mol |
| LogP | 2.41 |
| Topological Polar Surface Area | 104.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 525.13904 |
| Heavy Atoms | 36 |
| Complexity | 1170.8936 |
Chemical Identifiers
| CAS Number | 321998-79-2 |
|---|---|
| SMILES | C1CCN(C1)C(=O)C2=NOC3C2C4CC3C5C4C(=O)N(C5=O)CCNC6=C(C=C(C=N6)C(F)(F)F)Cl |
Product Overview
8L-942 (CAS 321998-79-2), with molecular formula C23H23ClF3N5O4 and molecular weight 525.14 g/mol. IUPAC: 10-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-5-(pyrrolidine-1-carbonyl)-3-oxa-4,10-diazatetracyclo[5.5.1.02,6.08,12]tridec-4-ene-9,11-dione.
Chemical Property Profile of 8L-942
Property Insights of 8L-942
The XLogP value of 2.41 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8L-942. The TPSA of 104.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 8L-942. Following Lipinski's Rule of Five, 8L-942 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8L-942?
The CAS number of 8L-942 is 321998-79-2.
What is the molecular formula of 8L-942?
The molecular formula of 8L-942 is C23H23ClF3N5O4.
What is the molecular weight of 8L-942?
The molecular weight of 8L-942 is 525.14 g/mol.
Where can I buy 8L-942?
You can request a quote for 8L-942 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8L-942?
Yes, KEHONG BIO provides custom synthesis services for 8L-942 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.