ChemDiv1_010818
TL;DR: ChemDiv1_010818 (CAS 327986-41-4) is a chemical compound with molecular formula C16H13BrClFN2O3 and molecular weight 413.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-4-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate
Also Known As: ChemDiv1_010818, ethyl 6-amino-4-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate
| Molecular Formula | C16H13BrClFN2O3 |
|---|---|
| Molecular Weight | 413.98 g/mol |
| LogP | 3.45188 |
| Topological Polar Surface Area | 85.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.9782 |
| Heavy Atoms | 24 |
| Complexity | 786.01746 |
Chemical Identifiers
| CAS Number | 327986-41-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=CC(=C(C=C2)F)Br)C#N)N)CCl |
Product Overview
ChemDiv1_010818 (CAS 327986-41-4), with molecular formula C16H13BrClFN2O3 and molecular weight 413.98 g/mol. IUPAC: ethyl 6-amino-4-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate.
Chemical Property Profile of ChemDiv1_010818
Property Insights of ChemDiv1_010818
The XLogP value of 3.45188 indicates that ChemDiv1_010818 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.34 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010818. Following Lipinski's Rule of Five, ChemDiv1_010818 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 ChemDiv1_010818?
The CAS number of ChemDiv1_010818 is 327986-41-4.
What is the molecular formula of ChemDiv1_010818?
The molecular formula of ChemDiv1_010818 is C16H13BrClFN2O3.
What is the molecular weight of ChemDiv1_010818?
The molecular weight of ChemDiv1_010818 is 413.98 g/mol.
Where can I buy ChemDiv1_010818?
You can request a quote for ChemDiv1_010818 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010818?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010818 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.