Succinyl-isoleucyl-isoleucyl-tryptophyl-methylcoumarinamide
TL;DR: Succinyl-isoleucyl-isoleucyl-tryptophyl-methylcoumarinamide (CAS 133525-12-9) is a chemical compound with molecular formula C37H45N5O8 and molecular weight 687.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(2S,3S)-1-[[(2S,3S)-1-[[(2S)-3-(1H-indol-3-yl)-2-[(4-methyl-2-oxochromen-7-yl)amino]propanoyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
Also Known As: Suc-ile-ile-trp-mca, N-Succinyl-Ile-Ile-Trp-7-amido-4-methylcoumarin, Succinyl-ile-ile-trp-methylcoumarinamide, Succinyl-isoleucyl-isoleucyl-tryptophyl-methylcoumarinamide, N-SUCCINYL-ILE-ILE-TRP 7-AMIDO-4-METHYLCOUMARIN
| Molecular Formula | C37H45N5O8 |
|---|---|
| Molecular Weight | 687.33 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 196.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 16 |
| Exact Mass | 687.32684 |
| Heavy Atoms | 50 |
| Complexity | 1290.0 |
Chemical Identifiers
| CAS Number | 133525-12-9 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC3=CC4=C(C=C3)C(=CC(=O)O4)C)NC(=O)CCC(=O)O |
| InChIKey | IHOJNXHPVYGHSL-DFXXCKAUSA-N |
Product Overview
Succinyl-isoleucyl-isoleucyl-tryptophyl-methylcoumarinamide (CAS 133525-12-9), with molecular formula C37H45N5O8 and molecular weight 687.33 g/mol. IUPAC: 4-[[(2S,3S)-1-[[(2S,3S)-1-[[(2S)-3-(1H-indol-3-yl)-2-[(4-methyl-2-oxochromen-7-yl)amino]propanoyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid.
Chemical Property Profile of Succinyl-isoleucyl-isoleucyl-tryptophyl-methylcoumarinamide
Property Insights of Succinyl-isoleucyl-isoleucyl-tryptophyl-methylcoumarinamide
The XLogP value of 4.6 indicates that Succinyl-isoleucyl-isoleucyl-tryptophyl-methylcoumarinamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 196.0 Ų indicates high polarity, suggesting Succinyl-isoleucyl-isoleucyl-tryptophyl-methylcoumarinamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Succinyl-isoleucyl-isoleucyl-tryptophyl-methylcoumarinamide has 6 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 Succinyl-isoleucyl-isoleucyl-tryptophyl-methylcoumarinamide?
The CAS number of Succinyl-isoleucyl-isoleucyl-tryptophyl-methylcoumarinamide is 133525-12-9.
What is the molecular formula of Succinyl-isoleucyl-isoleucyl-tryptophyl-methylcoumarinamide?
The molecular formula of Succinyl-isoleucyl-isoleucyl-tryptophyl-methylcoumarinamide is C37H45N5O8.
What is the molecular weight of Succinyl-isoleucyl-isoleucyl-tryptophyl-methylcoumarinamide?
The molecular weight of Succinyl-isoleucyl-isoleucyl-tryptophyl-methylcoumarinamide is 687.33 g/mol.
Where can I buy Succinyl-isoleucyl-isoleucyl-tryptophyl-methylcoumarinamide?
You can request a quote for Succinyl-isoleucyl-isoleucyl-tryptophyl-methylcoumarinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Succinyl-isoleucyl-isoleucyl-tryptophyl-methylcoumarinamide?
Yes, KEHONG BIO provides custom synthesis services for Succinyl-isoleucyl-isoleucyl-tryptophyl-methylcoumarinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.