Butyloxycarbonyl-alanyl-alanyl-phenylalanine-isoluminolamide
TL;DR: Butyloxycarbonyl-alanyl-alanyl-phenylalanine-isoluminolamide (CAS 77303-12-9) is a chemical compound with molecular formula C28H34N6O7 and molecular weight 566.25 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)-2-[(1,4-dioxo-2,3-dihydrophthalazin-6-yl)amino]-3-phenylpropanoyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
Also Known As: Boc-aapil, Butyloxycarbonyl-alanyl-alanyl-phenylalanine-isoluminolamide, Boc-alanyl-alanyl-phenylalanine-isoluminolamide, tert-Butyloxycarbonyl-ala-ala-phe-isoluminolamide, tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-2-[(1,4-dioxo-2,3-dihydrophthalazin-6-yl)amino]-3-phenylpropanoyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
| Molecular Formula | C28H34N6O7 |
|---|---|
| Molecular Weight | 566.25 g/mol |
| LogP | 1.3003 |
| Topological Polar Surface Area | 191.35 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 566.2489 |
| Heavy Atoms | 41 |
| Complexity | 1541.2565 |
Chemical Identifiers
| CAS Number | 77303-12-9 |
|---|---|
| SMILES | C[C@@H](C(=O)NC(=O)[C@H](CC1=CC=CC=C1)NC2=CC3=C(C=C2)C(=O)NNC3=O)NC(=O)[C@H](C)NC(=O)OC(C)(C)C |
Product Overview
Butyloxycarbonyl-alanyl-alanyl-phenylalanine-isoluminolamide (CAS 77303-12-9), with molecular formula C28H34N6O7 and molecular weight 566.25 g/mol. IUPAC: tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-2-[(1,4-dioxo-2,3-dihydrophthalazin-6-yl)amino]-3-phenylpropanoyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate.
Chemical Property Profile of Butyloxycarbonyl-alanyl-alanyl-phenylalanine-isoluminolamide
Property Insights of Butyloxycarbonyl-alanyl-alanyl-phenylalanine-isoluminolamide
The XLogP value of 1.3003 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyloxycarbonyl-alanyl-alanyl-phenylalanine-isoluminolamide. The TPSA of 191.35 Ų indicates high polarity, suggesting Butyloxycarbonyl-alanyl-alanyl-phenylalanine-isoluminolamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Butyloxycarbonyl-alanyl-alanyl-phenylalanine-isoluminolamide has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butyloxycarbonyl-alanyl-alanyl-phenylalanine-isoluminolamide?
The CAS number of Butyloxycarbonyl-alanyl-alanyl-phenylalanine-isoluminolamide is 77303-12-9.
What is the molecular formula of Butyloxycarbonyl-alanyl-alanyl-phenylalanine-isoluminolamide?
The molecular formula of Butyloxycarbonyl-alanyl-alanyl-phenylalanine-isoluminolamide is C28H34N6O7.
What is the molecular weight of Butyloxycarbonyl-alanyl-alanyl-phenylalanine-isoluminolamide?
The molecular weight of Butyloxycarbonyl-alanyl-alanyl-phenylalanine-isoluminolamide is 566.25 g/mol.
Where can I buy Butyloxycarbonyl-alanyl-alanyl-phenylalanine-isoluminolamide?
You can request a quote for Butyloxycarbonyl-alanyl-alanyl-phenylalanine-isoluminolamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyloxycarbonyl-alanyl-alanyl-phenylalanine-isoluminolamide?
Yes, KEHONG BIO provides custom synthesis services for Butyloxycarbonyl-alanyl-alanyl-phenylalanine-isoluminolamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.