3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)isoleucinate
TL;DR: 3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)isoleucinate (CAS 1396994-59-4) is a chemical compound with molecular formula C27H30ClNO6 and molecular weight 499.17618 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(4-chlorophenyl)-2-methyl-4-oxochromen-7-yl] 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
Also Known As: 3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)isoleucinate, [3-(4-chlorophenyl)-2-methyl-4-oxochromen-7-yl] 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate, 3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-methylpentanoate
Technical Specifications
| Molecular Formula | C27H30ClNO6 |
| Molecular Weight | 499.17618 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 499.17618 Da |
| Heavy Atoms | 35 |
| Complexity | 826.0 |
| SMILES | CCC(C)C(C(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C)C3=CC=C(C=C3)Cl)NC(=O)OC(C)(C)C |
| InChIKey | IRECBNPBDIDGQS-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)isoleucinate
Property Insights of 3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)isoleucinate
The XLogP value of 6.4 indicates that 3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)isoleucinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)isoleucinate. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)isoleucinate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)isoleucinate?
The CAS number of 3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)isoleucinate is 1396994-59-4.
What is the molecular formula of 3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)isoleucinate?
The molecular formula of 3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)isoleucinate is C27H30ClNO6.
What is the molecular weight of 3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)isoleucinate?
The molecular weight of 3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)isoleucinate is 499.17618 g/mol.
Where can I buy 3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)isoleucinate?
You can request a quote for 3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)isoleucinate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)isoleucinate?
Yes, CoreyChem provides custom synthesis services for 3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)isoleucinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.