3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-methylpentanoate
TL;DR: 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-methylpentanoate (CAS 1396995-65-5) is a chemical compound with molecular formula C26H28ClNO6 and molecular weight 485.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-chlorophenyl)-4-oxochromen-7-yl] 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
Also Known As: 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-methylpentanoate, [3-(4-chlorophenyl)-4-oxochromen-7-yl] 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
| Molecular Formula | C26H28ClNO6 |
|---|---|
| Molecular Weight | 485.16 g/mol |
| LogP | 5.9582 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.16052 |
| Heavy Atoms | 34 |
| Complexity | 1240.866 |
Chemical Identifiers
| CAS Number | 1396995-65-5 |
|---|---|
| SMILES | CC(C)CC(C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)Cl)NC(=O)OC(C)(C)C |
Product Overview
3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-methylpentanoate (CAS 1396995-65-5), with molecular formula C26H28ClNO6 and molecular weight 485.16 g/mol. IUPAC: [3-(4-chlorophenyl)-4-oxochromen-7-yl] 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.
Chemical Property Profile of 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-methylpentanoate
Property Insights of 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-methylpentanoate
The XLogP value of 5.9582 indicates that 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-methylpentanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-methylpentanoate. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-methylpentanoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-methylpentanoate?
The CAS number of 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-methylpentanoate is 1396995-65-5.
What is the molecular formula of 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-methylpentanoate?
The molecular formula of 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-methylpentanoate is C26H28ClNO6.
What is the molecular weight of 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-methylpentanoate?
The molecular weight of 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-methylpentanoate is 485.16 g/mol.
Where can I buy 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-methylpentanoate?
You can request a quote for 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-methylpentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-methylpentanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-methylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.