11G-958
TL;DR: 11G-958 (CAS 303151-74-8) is a chemical compound with molecular formula C17H16ClF3N4O7 and molecular weight 480.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-4,6-dioxo-3a,6a-dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-3,3-dicarboxylate
Also Known As: 11G-958, dimethyl 5-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-4,6-dioxo-3a,6a-dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-3,3-dicarboxylate, 3,3-dimethyl 5-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-3,3-dicarboxylate, dimethyl 5-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-4,6-dioxotetrahydro-2H-pyrrolo[3,4-d]isoxazole-3,3(3aH)-dicarboxylate, 3,3-Dimethyl 5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]hexahydro-4,6-dioxo-3H-pyrrolo[3,4-d]isoxazole-3,3-dicarboxylate
| Molecular Formula | C17H16ClF3N4O7 |
|---|---|
| Molecular Weight | 480.07 g/mol |
| LogP | 0.1389 |
| Topological Polar Surface Area | 136.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 480.06595 |
| Heavy Atoms | 32 |
| Complexity | 957.95374 |
Chemical Identifiers
| CAS Number | 303151-74-8 |
|---|---|
| SMILES | COC(=O)C1(C2C(C(=O)N(C2=O)CCNC3=C(C=C(C=N3)C(F)(F)F)Cl)ON1)C(=O)OC |
Product Overview
11G-958 (CAS 303151-74-8), with molecular formula C17H16ClF3N4O7 and molecular weight 480.07 g/mol. IUPAC: dimethyl 5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-4,6-dioxo-3a,6a-dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-3,3-dicarboxylate.
Chemical Property Profile of 11G-958
Property Insights of 11G-958
The XLogP value of 0.1389 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11G-958. The TPSA of 136.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 11G-958. Following Lipinski's Rule of Five, 11G-958 has 2 hydrogen bond donor(s) and 10 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 11G-958?
The CAS number of 11G-958 is 303151-74-8.
What is the molecular formula of 11G-958?
The molecular formula of 11G-958 is C17H16ClF3N4O7.
What is the molecular weight of 11G-958?
The molecular weight of 11G-958 is 480.07 g/mol.
Where can I buy 11G-958?
You can request a quote for 11G-958 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11G-958?
Yes, KEHONG BIO provides custom synthesis services for 11G-958 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.