8G-049
TL;DR: 8G-049 (CAS 339030-07-8) is a chemical compound with molecular formula C18H11ClF3N3O3 and molecular weight 409.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 8G-049, 5-benzyl-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 5-benzyl-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione, 5-benzyl-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 5-benzyl-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3aH,6aH-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
| Molecular Formula | C18H11ClF3N3O3 |
|---|---|
| Molecular Weight | 409.04 g/mol |
| LogP | 3.0419 |
| Topological Polar Surface Area | 71.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.0441 |
| Heavy Atoms | 28 |
| Complexity | 994.5606 |
Chemical Identifiers
| CAS Number | 339030-07-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)C3C(C2=O)ON=C3C4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
8G-049 (CAS 339030-07-8), with molecular formula C18H11ClF3N3O3 and molecular weight 409.04 g/mol. IUPAC: 5-benzyl-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of 8G-049
Property Insights of 8G-049
The XLogP value of 3.0419 indicates that 8G-049 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 8G-049. Following Lipinski's Rule of Five, 8G-049 has 0 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 8G-049?
The CAS number of 8G-049 is 339030-07-8.
What is the molecular formula of 8G-049?
The molecular formula of 8G-049 is C18H11ClF3N3O3.
What is the molecular weight of 8G-049?
The molecular weight of 8G-049 is 409.04 g/mol.
Where can I buy 8G-049?
You can request a quote for 8G-049 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8G-049?
Yes, KEHONG BIO provides custom synthesis services for 8G-049 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.