Boc-leucyl-seryl-threonyl-arginine-4-methylcoumaryl-7-amide
TL;DR: Boc-leucyl-seryl-threonyl-arginine-4-methylcoumaryl-7-amide (CAS 95991-89-2) is a chemical compound with molecular formula C34H52N8O10 and molecular weight 732.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-5-(diaminomethylideneamino)-2-[(4-methyl-2-oxochromen-7-yl)amino]pentanoyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
Also Known As: Boc-leu-ser-thr-arg-mca, Boc-LSTR-AMC, Boc-Leu-Ser-Thr-Arg-AMC, Boc-Leu-Ser-Thr-Arg-AMC trifluoroacetate salt, Boc-leucyl-seryl-threonyl-arginine-4-methylcoumaryl-7-amide
| Molecular Formula | C34H52N8O10 |
|---|---|
| Molecular Weight | 732.38 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 286.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 19 |
| Exact Mass | 732.3806 |
| Heavy Atoms | 52 |
| Complexity | 1340.0 |
Chemical Identifiers
| CAS Number | 95991-89-2 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)N[C@@H](CCCN=C(N)N)C(=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C |
| InChIKey | KHROACPEOHQTRJ-ZDLOCFOUSA-N |
Product Overview
Boc-leucyl-seryl-threonyl-arginine-4-methylcoumaryl-7-amide (CAS 95991-89-2), with molecular formula C34H52N8O10 and molecular weight 732.38 g/mol. IUPAC: tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-5-(diaminomethylideneamino)-2-[(4-methyl-2-oxochromen-7-yl)amino]pentanoyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate.
Chemical Property Profile of Boc-leucyl-seryl-threonyl-arginine-4-methylcoumaryl-7-amide
Property Insights of Boc-leucyl-seryl-threonyl-arginine-4-methylcoumaryl-7-amide
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Boc-leucyl-seryl-threonyl-arginine-4-methylcoumaryl-7-amide. The TPSA of 286.0 Ų indicates high polarity, suggesting Boc-leucyl-seryl-threonyl-arginine-4-methylcoumaryl-7-amide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Boc-leucyl-seryl-threonyl-arginine-4-methylcoumaryl-7-amide has 9 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Boc-leucyl-seryl-threonyl-arginine-4-methylcoumaryl-7-amide?
The CAS number of Boc-leucyl-seryl-threonyl-arginine-4-methylcoumaryl-7-amide is 95991-89-2.
What is the molecular formula of Boc-leucyl-seryl-threonyl-arginine-4-methylcoumaryl-7-amide?
The molecular formula of Boc-leucyl-seryl-threonyl-arginine-4-methylcoumaryl-7-amide is C34H52N8O10.
What is the molecular weight of Boc-leucyl-seryl-threonyl-arginine-4-methylcoumaryl-7-amide?
The molecular weight of Boc-leucyl-seryl-threonyl-arginine-4-methylcoumaryl-7-amide is 732.38 g/mol.
Where can I buy Boc-leucyl-seryl-threonyl-arginine-4-methylcoumaryl-7-amide?
You can request a quote for Boc-leucyl-seryl-threonyl-arginine-4-methylcoumaryl-7-amide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Boc-leucyl-seryl-threonyl-arginine-4-methylcoumaryl-7-amide?
Yes, KEHONG BIO provides custom synthesis services for Boc-leucyl-seryl-threonyl-arginine-4-methylcoumaryl-7-amide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.