tertiary-Butyloxycarbonyl-valyl-prolyl-arginyl-7-amino-4-methylcoumarin
TL;DR: tertiary-Butyloxycarbonyl-valyl-prolyl-arginyl-7-amino-4-methylcoumarin (CAS 6754-35-4) is a chemical compound with molecular formula C31H45N7O7 and molecular weight 627.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(2S)-1-[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[(4-methyl-2-oxochromen-7-yl)amino]pentanoyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
Also Known As: Boc-val-pro-arg-mca, BVPAM, Boc-Val-Pro-Arg-AMC, Thrombin Fluorogenic Substrate, Boc-val-pro-arg-7-amido-4-methylcoumarin
| Molecular Formula | C31H45N7O7 |
|---|---|
| Molecular Weight | 627.34 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 208.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 627.3381 |
| Heavy Atoms | 45 |
| Complexity | 1180.0 |
Chemical Identifiers
| CAS Number | 6754-35-4 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)N[C@@H](CCCN=C(N)N)C(=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C |
| InChIKey | JEOIUGLPMJAHBL-HWBMXIPRSA-N |
Product Overview
tertiary-Butyloxycarbonyl-valyl-prolyl-arginyl-7-amino-4-methylcoumarin (CAS 6754-35-4), with molecular formula C31H45N7O7 and molecular weight 627.34 g/mol. IUPAC: tert-butyl N-[(2S)-1-[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[(4-methyl-2-oxochromen-7-yl)amino]pentanoyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate.
Chemical Property Profile of tertiary-Butyloxycarbonyl-valyl-prolyl-arginyl-7-amino-4-methylcoumarin
Property Insights of tertiary-Butyloxycarbonyl-valyl-prolyl-arginyl-7-amino-4-methylcoumarin
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tertiary-Butyloxycarbonyl-valyl-prolyl-arginyl-7-amino-4-methylcoumarin. The TPSA of 208.0 Ų indicates high polarity, suggesting tertiary-Butyloxycarbonyl-valyl-prolyl-arginyl-7-amino-4-methylcoumarin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, tertiary-Butyloxycarbonyl-valyl-prolyl-arginyl-7-amino-4-methylcoumarin has 5 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 tertiary-Butyloxycarbonyl-valyl-prolyl-arginyl-7-amino-4-methylcoumarin?
The CAS number of tertiary-Butyloxycarbonyl-valyl-prolyl-arginyl-7-amino-4-methylcoumarin is 6754-35-4.
What is the molecular formula of tertiary-Butyloxycarbonyl-valyl-prolyl-arginyl-7-amino-4-methylcoumarin?
The molecular formula of tertiary-Butyloxycarbonyl-valyl-prolyl-arginyl-7-amino-4-methylcoumarin is C31H45N7O7.
What is the molecular weight of tertiary-Butyloxycarbonyl-valyl-prolyl-arginyl-7-amino-4-methylcoumarin?
The molecular weight of tertiary-Butyloxycarbonyl-valyl-prolyl-arginyl-7-amino-4-methylcoumarin is 627.34 g/mol.
Where can I buy tertiary-Butyloxycarbonyl-valyl-prolyl-arginyl-7-amino-4-methylcoumarin?
You can request a quote for tertiary-Butyloxycarbonyl-valyl-prolyl-arginyl-7-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 tertiary-Butyloxycarbonyl-valyl-prolyl-arginyl-7-amino-4-methylcoumarin?
Yes, KEHONG BIO provides custom synthesis services for tertiary-Butyloxycarbonyl-valyl-prolyl-arginyl-7-amino-4-methylcoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.