Butyloxycarbonyl-glutaminyl-leucyl-lysinal
TL;DR: Butyloxycarbonyl-glutaminyl-leucyl-lysinal (CAS 86689-94-3) is a chemical compound with molecular formula C22H41N5O6 and molecular weight 471.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(2S)-5-amino-1-[[(2S)-2-[[(2S)-6-amino-1-oxohexan-2-yl]amino]-4-methylpentanoyl]amino]-1,5-dioxopentan-2-yl]carbamate
Also Known As: Boc-gln-leu-lysinal, Butyloxycarbonyl-glutaminyl-leucyl-lysinal, tert-butyl N-[(1S)-1-[[(2S)-2-[[(2S)-6-amino-1-oxo-hexan-2-yl]amino]-4-methyl-pentanoyl]carbamoyl]-3-carbamoyl-propyl]carbamate, tert-butyl[(2s)-5-amino-1-{[(2s)-2-{[(2s)-6-amino-1-oxohexan-2-yl]amino}-4-methylpentanoyl]amino}-1,5-dioxopentan-2-yl]carbamate(non-preferred name), (2S)-N~1~-{N-[(2S)-6-Amino-1-oxohexan-2-yl]-L-leucyl}-2-{[tert-butoxy(hydroxy)methylidene]amino}pentanediimidic acid
| Molecular Formula | C22H41N5O6 |
|---|---|
| Molecular Weight | 471.31 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 17 |
| Exact Mass | 471.3057 |
| Heavy Atoms | 33 |
| Complexity | 662.0 |
Chemical Identifiers
| CAS Number | 86689-94-3 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)NC(=O)[C@H](CCC(=O)N)NC(=O)OC(C)(C)C)N[C@@H](CCCCN)C=O |
| InChIKey | NNDVFUMCCOOAEB-ULQDDVLXSA-N |
Product Overview
Butyloxycarbonyl-glutaminyl-leucyl-lysinal (CAS 86689-94-3), with molecular formula C22H41N5O6 and molecular weight 471.31 g/mol. IUPAC: tert-butyl N-[(2S)-5-amino-1-[[(2S)-2-[[(2S)-6-amino-1-oxohexan-2-yl]amino]-4-methylpentanoyl]amino]-1,5-dioxopentan-2-yl]carbamate.
Chemical Property Profile of Butyloxycarbonyl-glutaminyl-leucyl-lysinal
Property Insights of Butyloxycarbonyl-glutaminyl-leucyl-lysinal
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyloxycarbonyl-glutaminyl-leucyl-lysinal. The TPSA of 183.0 Ų indicates high polarity, suggesting Butyloxycarbonyl-glutaminyl-leucyl-lysinal may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Butyloxycarbonyl-glutaminyl-leucyl-lysinal has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butyloxycarbonyl-glutaminyl-leucyl-lysinal?
The CAS number of Butyloxycarbonyl-glutaminyl-leucyl-lysinal is 86689-94-3.
What is the molecular formula of Butyloxycarbonyl-glutaminyl-leucyl-lysinal?
The molecular formula of Butyloxycarbonyl-glutaminyl-leucyl-lysinal is C22H41N5O6.
What is the molecular weight of Butyloxycarbonyl-glutaminyl-leucyl-lysinal?
The molecular weight of Butyloxycarbonyl-glutaminyl-leucyl-lysinal is 471.31 g/mol.
Where can I buy Butyloxycarbonyl-glutaminyl-leucyl-lysinal?
You can request a quote for Butyloxycarbonyl-glutaminyl-leucyl-lysinal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyloxycarbonyl-glutaminyl-leucyl-lysinal?
Yes, KEHONG BIO provides custom synthesis services for Butyloxycarbonyl-glutaminyl-leucyl-lysinal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.