ChemDiv3_014990
TL;DR: ChemDiv3_014990 (CAS 712347-37-0) is a chemical compound with molecular formula C17H15BrN2O2S and molecular weight 390.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-bromophenyl)-N-(2-methylsulfanylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
Also Known As: ChemDiv3_014990, AN-329/43211372, 3-(3-bromophenyl)-N-(2-methylsulfanylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide, 3-(3-bromophenyl)-N-[2-(methylsulfanyl)phenyl]-4,5-dihydro-5-isoxazolecarboxamide, [3-(3-bromophenyl)(4,5-dihydroisoxazol-5-yl)]-N-(2-methylthiophenyl)carboxamid e
| Molecular Formula | C17H15BrN2O2S |
|---|---|
| Molecular Weight | 390.00 g/mol |
| LogP | 4.3027 |
| Topological Polar Surface Area | 50.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.00375 |
| Heavy Atoms | 23 |
| Complexity | 763.7635 |
Chemical Identifiers
| CAS Number | 712347-37-0 |
|---|---|
| SMILES | CSC1=CC=CC=C1NC(=O)C2CC(=NO2)C3=CC(=CC=C3)Br |
Product Overview
ChemDiv3_014990 (CAS 712347-37-0), with molecular formula C17H15BrN2O2S and molecular weight 390.00 g/mol. IUPAC: 3-(3-bromophenyl)-N-(2-methylsulfanylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
Chemical Property Profile of ChemDiv3_014990
Property Insights of ChemDiv3_014990
The XLogP value of 4.3027 indicates that ChemDiv3_014990 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.69 Ų, ChemDiv3_014990 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_014990 has 1 hydrogen bond donor(s) and 4 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_014990?
The CAS number of ChemDiv3_014990 is 712347-37-0.
What is the molecular formula of ChemDiv3_014990?
The molecular formula of ChemDiv3_014990 is C17H15BrN2O2S.
What is the molecular weight of ChemDiv3_014990?
The molecular weight of ChemDiv3_014990 is 390.00 g/mol.
Where can I buy ChemDiv3_014990?
You can request a quote for ChemDiv3_014990 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_014990?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_014990 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.