N-Benzyloxycarbonylalanylprolinal
TL;DR: N-Benzyloxycarbonylalanylprolinal (CAS 118587-22-7) is a chemical compound with molecular formula C16H20N2O4 and molecular weight 304.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[1-(2-formylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate
Also Known As: Z-Ala-prolinal, N-Benzyloxycarbonylalanylprolinal, N-Benzyloxycarbonyl-alanylprolinal, benzyl N-[1-(2-formylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate, benzyl[1-(2-formylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate
| Molecular Formula | C16H20N2O4 |
|---|---|
| Molecular Weight | 304.14 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 75.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 304.1423 |
| Heavy Atoms | 22 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 118587-22-7 |
|---|---|
| SMILES | CC(C(=O)N1CCCC1C=O)NC(=O)OCC2=CC=CC=C2 |
| InChIKey | SQXBJJUQJZTQQJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Benzyloxycarbonylalanylprolinal (CAS 118587-22-7), with molecular formula C16H20N2O4 and molecular weight 304.14 g/mol. IUPAC: benzyl N-[1-(2-formylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate.
Chemical Property Profile of N-Benzyloxycarbonylalanylprolinal
Property Insights of N-Benzyloxycarbonylalanylprolinal
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Benzyloxycarbonylalanylprolinal. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Benzyloxycarbonylalanylprolinal. Following Lipinski's Rule of Five, N-Benzyloxycarbonylalanylprolinal has 1 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 N-Benzyloxycarbonylalanylprolinal?
The CAS number of N-Benzyloxycarbonylalanylprolinal is 118587-22-7.
What is the molecular formula of N-Benzyloxycarbonylalanylprolinal?
The molecular formula of N-Benzyloxycarbonylalanylprolinal is C16H20N2O4.
What is the molecular weight of N-Benzyloxycarbonylalanylprolinal?
The molecular weight of N-Benzyloxycarbonylalanylprolinal is 304.14 g/mol.
Where can I buy N-Benzyloxycarbonylalanylprolinal?
You can request a quote for N-Benzyloxycarbonylalanylprolinal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzyloxycarbonylalanylprolinal?
Yes, KEHONG BIO provides custom synthesis services for N-Benzyloxycarbonylalanylprolinal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.