7-(N-Benzyloxycarbonyl-beta-benzylaspartyl-prolyl-leucyl)amino-4-methylcoumarin
TL;DR: 7-(N-Benzyloxycarbonyl-beta-benzylaspartyl-prolyl-leucyl)amino-4-methylcoumarin (CAS 5435-07-4) is a chemical compound with molecular formula C40H44N4O9 and molecular weight 724.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl (3S)-4-[(2S)-2-[[(2R)-3-methyl-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate
Also Known As: 7-Z-B-Asp-pro-leu-ME, 7-(N-Benzyloxycarbonyl-beta-benzylaspartyl-prolyl-leucyl)amino-4-methylcoumarin, benzyl(3s)-3-{[(benzyloxy)carbonyl]amino}-4-[(2s)-2-({(2r)-3-methyl-1-[(4-methyl-2-oxo-2h-chromen-7-yl)amino]-1-oxopentan-2-yl}carbamoyl)pyrrolidin-1-yl]-4-oxobutanoate(non-preferred name), benzyl (3S)-4-[(2S)-2-[[(2R)-3-methyl-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate, L-Leucinamide, N-((phenylmethoxy)carbonyl)-L-alpha-aspartyl-L-prolyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, phenylmethyl ester
| Molecular Formula | C40H44N4O9 |
|---|---|
| Molecular Weight | 724.31 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 16 |
| Exact Mass | 724.31085 |
| Heavy Atoms | 53 |
| Complexity | 1340.0 |
Chemical Identifiers
| CAS Number | 5435-07-4 |
|---|---|
| SMILES | CCC(C)[C@H](C(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)OCC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5 |
| InChIKey | PWEAQFUWRQWRMO-GJPDKWCJSA-N |
Product Overview
7-(N-Benzyloxycarbonyl-beta-benzylaspartyl-prolyl-leucyl)amino-4-methylcoumarin (CAS 5435-07-4), with molecular formula C40H44N4O9 and molecular weight 724.31 g/mol. IUPAC: benzyl (3S)-4-[(2S)-2-[[(2R)-3-methyl-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate.
Chemical Property Profile of 7-(N-Benzyloxycarbonyl-beta-benzylaspartyl-prolyl-leucyl)amino-4-methylcoumarin
Property Insights of 7-(N-Benzyloxycarbonyl-beta-benzylaspartyl-prolyl-leucyl)amino-4-methylcoumarin
The XLogP value of 4.7 indicates that 7-(N-Benzyloxycarbonyl-beta-benzylaspartyl-prolyl-leucyl)amino-4-methylcoumarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 169.0 Ų indicates high polarity, suggesting 7-(N-Benzyloxycarbonyl-beta-benzylaspartyl-prolyl-leucyl)amino-4-methylcoumarin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-(N-Benzyloxycarbonyl-beta-benzylaspartyl-prolyl-leucyl)amino-4-methylcoumarin has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-(N-Benzyloxycarbonyl-beta-benzylaspartyl-prolyl-leucyl)amino-4-methylcoumarin?
The CAS number of 7-(N-Benzyloxycarbonyl-beta-benzylaspartyl-prolyl-leucyl)amino-4-methylcoumarin is 5435-07-4.
What is the molecular formula of 7-(N-Benzyloxycarbonyl-beta-benzylaspartyl-prolyl-leucyl)amino-4-methylcoumarin?
The molecular formula of 7-(N-Benzyloxycarbonyl-beta-benzylaspartyl-prolyl-leucyl)amino-4-methylcoumarin is C40H44N4O9.
What is the molecular weight of 7-(N-Benzyloxycarbonyl-beta-benzylaspartyl-prolyl-leucyl)amino-4-methylcoumarin?
The molecular weight of 7-(N-Benzyloxycarbonyl-beta-benzylaspartyl-prolyl-leucyl)amino-4-methylcoumarin is 724.31 g/mol.
Where can I buy 7-(N-Benzyloxycarbonyl-beta-benzylaspartyl-prolyl-leucyl)amino-4-methylcoumarin?
You can request a quote for 7-(N-Benzyloxycarbonyl-beta-benzylaspartyl-prolyl-leucyl)amino-4-methylcoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(N-Benzyloxycarbonyl-beta-benzylaspartyl-prolyl-leucyl)amino-4-methylcoumarin?
Yes, KEHONG BIO provides custom synthesis services for 7-(N-Benzyloxycarbonyl-beta-benzylaspartyl-prolyl-leucyl)amino-4-methylcoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.