ChemDiv1_003738
TL;DR: ChemDiv1_003738 (CAS 336180-76-8) is a chemical compound with molecular formula C23H21ClN2O4 and molecular weight 424.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(3-phenylmethoxyphenyl)-4H-pyran-3-carboxylate
Also Known As: ChemDiv1_003738, BAS 01107807, ethyl 6-amino-4-[3-(benzyloxy)phenyl]-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate, ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(3-phenylmethoxyphenyl)-4H-pyran-3-carboxylate, ethyl 6-amino-2-(chloromethyl)-5-cyano-4-[3-(phenylmethoxy)phenyl]-4H-pyran-3- carboxylate
| Molecular Formula | C23H21ClN2O4 |
|---|---|
| Molecular Weight | 424.12 g/mol |
| LogP | 4.12928 |
| Topological Polar Surface Area | 94.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 424.119 |
| Heavy Atoms | 30 |
| Complexity | 1024.9987 |
Chemical Identifiers
| CAS Number | 336180-76-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=CC(=CC=C2)OCC3=CC=CC=C3)C#N)N)CCl |
Product Overview
ChemDiv1_003738 (CAS 336180-76-8), with molecular formula C23H21ClN2O4 and molecular weight 424.12 g/mol. IUPAC: ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(3-phenylmethoxyphenyl)-4H-pyran-3-carboxylate.
Chemical Property Profile of ChemDiv1_003738
Property Insights of ChemDiv1_003738
The XLogP value of 4.12928 indicates that ChemDiv1_003738 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.57 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003738. Following Lipinski's Rule of Five, ChemDiv1_003738 has 1 hydrogen bond donor(s) and 6 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_003738?
The CAS number of ChemDiv1_003738 is 336180-76-8.
What is the molecular formula of ChemDiv1_003738?
The molecular formula of ChemDiv1_003738 is C23H21ClN2O4.
What is the molecular weight of ChemDiv1_003738?
The molecular weight of ChemDiv1_003738 is 424.12 g/mol.
Where can I buy ChemDiv1_003738?
You can request a quote for ChemDiv1_003738 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003738?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003738 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.