Bionet1_004843
TL;DR: Bionet1_004843 (CAS 1005035-64-2) is a chemical compound with molecular formula C16H13ClF3N3O3 and molecular weight 387.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
Also Known As: Bionet1_004843, 9R-0326, 2-[2-[[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione, 4,7-Epoxy-1H-isoindole-1,3(2H)-dione, 2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-3a,4,7,7a-tetrahydro-, 4-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-10-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
| Molecular Formula | C16H13ClF3N3O3 |
|---|---|
| Molecular Weight | 387.06 g/mol |
| LogP | 2.1041 |
| Topological Polar Surface Area | 71.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.05975 |
| Heavy Atoms | 26 |
| Complexity | 783.6651 |
Chemical Identifiers
| CAS Number | 1005035-64-2 |
|---|---|
| SMILES | C1=CC2C3C(C1O2)C(=O)N(C3=O)CCNC4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
Bionet1_004843 (CAS 1005035-64-2), with molecular formula C16H13ClF3N3O3 and molecular weight 387.06 g/mol. IUPAC: 2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione.
Chemical Property Profile of Bionet1_004843
Property Insights of Bionet1_004843
The XLogP value of 2.1041 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_004843. The TPSA of 71.53 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_004843. Following Lipinski's Rule of Five, Bionet1_004843 has 1 hydrogen bond donor(s) and 5 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 Bionet1_004843?
The CAS number of Bionet1_004843 is 1005035-64-2.
What is the molecular formula of Bionet1_004843?
The molecular formula of Bionet1_004843 is C16H13ClF3N3O3.
What is the molecular weight of Bionet1_004843?
The molecular weight of Bionet1_004843 is 387.06 g/mol.
Where can I buy Bionet1_004843?
You can request a quote for Bionet1_004843 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004843?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004843 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.