ChemDiv1_010750
TL;DR: ChemDiv1_010750 (CAS 339580-00-6) is a chemical compound with molecular formula C19H20ClNO4 and molecular weight 361.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-amino-4-(4-chlorophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
Also Known As: ChemDiv1_010750, A0508/0023594, isopropyl 2-amino-4-(4-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, propan-2-yl 2-amino-4-(4-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, propan-2-yl 2-amino-4-(4-chlorophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
| Molecular Formula | C19H20ClNO4 |
|---|---|
| Molecular Weight | 361.11 g/mol |
| LogP | 3.5828 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 361.1081 |
| Heavy Atoms | 25 |
| Complexity | 777.1188 |
Chemical Identifiers
| CAS Number | 339580-00-6 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(OC2=C(C1C3=CC=C(C=C3)Cl)C(=O)CCC2)N |
Product Overview
ChemDiv1_010750 (CAS 339580-00-6), with molecular formula C19H20ClNO4 and molecular weight 361.11 g/mol. IUPAC: propan-2-yl 2-amino-4-(4-chlorophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate.
Chemical Property Profile of ChemDiv1_010750
Property Insights of ChemDiv1_010750
The XLogP value of 3.5828 indicates that ChemDiv1_010750 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.62 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010750. Following Lipinski's Rule of Five, ChemDiv1_010750 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_010750?
The CAS number of ChemDiv1_010750 is 339580-00-6.
What is the molecular formula of ChemDiv1_010750?
The molecular formula of ChemDiv1_010750 is C19H20ClNO4.
What is the molecular weight of ChemDiv1_010750?
The molecular weight of ChemDiv1_010750 is 361.11 g/mol.
Where can I buy ChemDiv1_010750?
You can request a quote for ChemDiv1_010750 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010750?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010750 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.