ChemDiv1_003654
TL;DR: ChemDiv1_003654 (CAS 302950-34-1) is a chemical compound with molecular formula C16H11ClF3NO3 and molecular weight 357.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Also Known As: ChemDiv1_003654, N-[2-chloro-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide, BAS 06190650, BIM-0045505.P001, F0537-0539
| Molecular Formula | C16H11ClF3NO3 |
|---|---|
| Molecular Weight | 357.04 g/mol |
| LogP | 4.1373 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 357.03796 |
| Heavy Atoms | 24 |
| Complexity | 779.4032 |
Chemical Identifiers
| CAS Number | 302950-34-1 |
|---|---|
| SMILES | C1C(OC2=CC=CC=C2O1)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl |
Product Overview
ChemDiv1_003654 (CAS 302950-34-1), with molecular formula C16H11ClF3NO3 and molecular weight 357.04 g/mol. IUPAC: N-[2-chloro-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
Chemical Property Profile of ChemDiv1_003654
Property Insights of ChemDiv1_003654
The XLogP value of 4.1373 indicates that ChemDiv1_003654 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.56 Ų, ChemDiv1_003654 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_003654 has 1 hydrogen bond donor(s) and 3 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 ChemDiv1_003654?
The CAS number of ChemDiv1_003654 is 302950-34-1.
What is the molecular formula of ChemDiv1_003654?
The molecular formula of ChemDiv1_003654 is C16H11ClF3NO3.
What is the molecular weight of ChemDiv1_003654?
The molecular weight of ChemDiv1_003654 is 357.04 g/mol.
Where can I buy ChemDiv1_003654?
You can request a quote for ChemDiv1_003654 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003654?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003654 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.