![苄基-N-{3-甲基-1-[(1-氧代己-2-基)氨基甲酰]丁基}氨基甲酸酯 structure](/static/products/1175/117591-20-5.webp)
苄基-N-{3-甲基-1-[(1-氧代己-2-基)氨基甲酰]丁基}氨基甲酸酯
TL;DR: 苄基-N-{3-甲基-1-[(1-氧代己-2-基)氨基甲酰]丁基}氨基甲酸酯 (CAS 117591-20-5) is a chemical compound with molecular formula C20H30N2O4 and molecular weight 362.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苄基-N-{3-甲基-1-[(1-氧代己-2-基)氨基甲酰]丁基}氨基甲酸酯
benzyl N-[4-methyl-1-oxo-1-(1-oxohexan-2-ylamino)pentan-2-yl]carbamate
Also Known As: calpeptin, N-Cbz-leu-nleu-al, Benzylcarbonyl-leu-nleu-H, N-CBZ-L-Leucyl-Norleucinal, N-CBZ-L -Leucyl-Norleucinal
| Molecular Formula | C20H30N2O4 |
|---|---|
| Molecular Weight | 362.22 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 362.22055 |
| Heavy Atoms | 26 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 117591-20-5 |
|---|---|
| SMILES | CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1 |
| InChIKey | PGGUOGKHUUUWAF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苄基-N-{3-甲基-1-[(1-氧代己-2-基)氨基甲酰]丁基}氨基甲酸酯 (CAS 117591-20-5), with molecular formula C20H30N2O4 and molecular weight 362.22 g/mol. IUPAC: benzyl N-[4-methyl-1-oxo-1-(1-oxohexan-2-ylamino)pentan-2-yl]carbamate.
Chemical Property Profile of 苄基-N-{3-甲基-1-[(1-氧代己-2-基)氨基甲酰]丁基}氨基甲酸酯
Property Insights of 苄基-N-{3-甲基-1-[(1-氧代己-2-基)氨基甲酰]丁基}氨基甲酸酯
The XLogP value of 3.9 indicates that 苄基-N-{3-甲基-1-[(1-氧代己-2-基)氨基甲酰]丁基}氨基甲酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 苄基-N-{3-甲基-1-[(1-氧代己-2-基)氨基甲酰]丁基}氨基甲酸酯. Following Lipinski's Rule of Five, 苄基-N-{3-甲基-1-[(1-氧代己-2-基)氨基甲酰]丁基}氨基甲酸酯 has 2 hydrogen bond donor(s) and 4 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 苄基-N-{3-甲基-1-[(1-氧代己-2-基)氨基甲酰]丁基}氨基甲酸酯?
The CAS number of 苄基-N-{3-甲基-1-[(1-氧代己-2-基)氨基甲酰]丁基}氨基甲酸酯 is 117591-20-5.
What is the molecular formula of 苄基-N-{3-甲基-1-[(1-氧代己-2-基)氨基甲酰]丁基}氨基甲酸酯?
The molecular formula of 苄基-N-{3-甲基-1-[(1-氧代己-2-基)氨基甲酰]丁基}氨基甲酸酯 is C20H30N2O4.
What is the molecular weight of 苄基-N-{3-甲基-1-[(1-氧代己-2-基)氨基甲酰]丁基}氨基甲酸酯?
The molecular weight of 苄基-N-{3-甲基-1-[(1-氧代己-2-基)氨基甲酰]丁基}氨基甲酸酯 is 362.22 g/mol.
Where can I buy 苄基-N-{3-甲基-1-[(1-氧代己-2-基)氨基甲酰]丁基}氨基甲酸酯?
You can request a quote for 苄基-N-{3-甲基-1-[(1-氧代己-2-基)氨基甲酰]丁基}氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苄基-N-{3-甲基-1-[(1-氧代己-2-基)氨基甲酰]丁基}氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 苄基-N-{3-甲基-1-[(1-氧代己-2-基)氨基甲酰]丁基}氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.