8L-939
TL;DR: 8L-939 (CAS 321998-78-1) is a chemical compound with molecular formula C21H20ClF3N4O5 and molecular weight 500.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 10-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.02,6.08,12]tridec-4-ene-5-carboxylate
Also Known As: 8L-939, ethyl 10-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0~2,6~.0~8,12~]tridec-4-ene-5-carboxylate, ethyl 10-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0^{2,6}.0^{8,12}]tridec-4-ene-5-carboxylate, Ethyl 10-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.02,6.08,12]tridec-4-ene-5-carboxylate, Ethyl 6-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-3a,4a,5,6,7,7a,8,8a-octahydro-5,7-dioxo-4,8-methano-4H-pyrrolo[3,4-f]-1,2-benzisoxazole-3-carboxylate
| Molecular Formula | C21H20ClF3N4O5 |
|---|---|
| Molecular Weight | 500.11 g/mol |
| LogP | 2.3507 |
| Topological Polar Surface Area | 110.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 500.10742 |
| Heavy Atoms | 34 |
| Complexity | 1096.6575 |
Chemical Identifiers
| CAS Number | 321998-78-1 |
|---|---|
| SMILES | CCOC(=O)C1=NOC2C1C3CC2C4C3C(=O)N(C4=O)CCNC5=C(C=C(C=N5)C(F)(F)F)Cl |
Product Overview
8L-939 (CAS 321998-78-1), with molecular formula C21H20ClF3N4O5 and molecular weight 500.11 g/mol. IUPAC: ethyl 10-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.02,6.08,12]tridec-4-ene-5-carboxylate.
Chemical Property Profile of 8L-939
Property Insights of 8L-939
The XLogP value of 2.3507 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8L-939. The TPSA of 110.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 8L-939. Following Lipinski's Rule of Five, 8L-939 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8L-939?
The CAS number of 8L-939 is 321998-78-1.
What is the molecular formula of 8L-939?
The molecular formula of 8L-939 is C21H20ClF3N4O5.
What is the molecular weight of 8L-939?
The molecular weight of 8L-939 is 500.11 g/mol.
Where can I buy 8L-939?
You can request a quote for 8L-939 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8L-939?
Yes, KEHONG BIO provides custom synthesis services for 8L-939 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.