ChemDiv3_006833
TL;DR: ChemDiv3_006833 (CAS 354552-96-8) is a chemical compound with molecular formula C16H14BrFN4O and molecular weight 376.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-4-(5-bromo-2-fluorophenyl)-3-propyl-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile
Also Known As: ChemDiv3_006833, IDI1_024743, 6-amino-4-(5-bromo-2-fluorophenyl)-3-propyl-4,7-dihydroisoxazolo[5,4-b]pyridine-5-carbonitrile, AM-807/12426122, 6-amino-4-(5-bromo-2-fluorophenyl)-3-propyl-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile
| Molecular Formula | C16H14BrFN4O |
|---|---|
| Molecular Weight | 376.03 g/mol |
| LogP | 3.77998 |
| Topological Polar Surface Area | 87.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.0335 |
| Heavy Atoms | 23 |
| Complexity | 837.0912 |
Chemical Identifiers
| CAS Number | 354552-96-8 |
|---|---|
| SMILES | CCCC1=NOC2=C1C(C(=C(N2)N)C#N)C3=C(C=CC(=C3)Br)F |
Product Overview
ChemDiv3_006833 (CAS 354552-96-8), with molecular formula C16H14BrFN4O and molecular weight 376.03 g/mol. IUPAC: 6-amino-4-(5-bromo-2-fluorophenyl)-3-propyl-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile.
Chemical Property Profile of ChemDiv3_006833
Property Insights of ChemDiv3_006833
The XLogP value of 3.77998 indicates that ChemDiv3_006833 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.87 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_006833. Following Lipinski's Rule of Five, ChemDiv3_006833 has 2 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 ChemDiv3_006833?
The CAS number of ChemDiv3_006833 is 354552-96-8.
What is the molecular formula of ChemDiv3_006833?
The molecular formula of ChemDiv3_006833 is C16H14BrFN4O.
What is the molecular weight of ChemDiv3_006833?
The molecular weight of ChemDiv3_006833 is 376.03 g/mol.
Where can I buy ChemDiv3_006833?
You can request a quote for ChemDiv3_006833 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_006833?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_006833 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.