![dibenzyl 2-[[4-oxo-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanedioate structure](/static/products/4617/46177-21-3.webp)
dibenzyl 2-[[4-oxo-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanedioate
TL;DR: dibenzyl 2-[[4-oxo-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanedioate (CAS 46177-21-3) is a chemical compound with molecular formula C37H36N2O9 and molecular weight 652.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibenzyl 2-[[4-oxo-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanedioate
Also Known As: dibenzyl 2-[[4-oxo-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanedioate, dibenzyl 2-{[4-(benzyloxy)-2-{[(benzyloxy)carbonyl]amino}-4-oxobutanoyl]amino}butanedioate(non-preferred name), Dibenzyl 2-[4-(benzyloxy)-2-{[(benzyloxy)carbonyl]amino}-4-oxobutanamido]butanedioate
| Molecular Formula | C37H36N2O9 |
|---|---|
| Molecular Weight | 652.24 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 20 |
| Exact Mass | 652.24207 |
| Heavy Atoms | 48 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 46177-21-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CC(C(=O)NC(CC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4 |
| InChIKey | DVOVAXBJPRPUNC-UHFFFAOYSA-N |
Product Overview
dibenzyl 2-[[4-oxo-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanedioate (CAS 46177-21-3), with molecular formula C37H36N2O9 and molecular weight 652.24 g/mol. IUPAC: dibenzyl 2-[[4-oxo-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanedioate.
Chemical Property Profile of dibenzyl 2-[[4-oxo-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanedioate
Property Insights of dibenzyl 2-[[4-oxo-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanedioate
The XLogP value of 4.9 indicates that dibenzyl 2-[[4-oxo-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.0 Ų indicates high polarity, suggesting dibenzyl 2-[[4-oxo-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanedioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, dibenzyl 2-[[4-oxo-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanedioate has 2 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 dibenzyl 2-[[4-oxo-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanedioate?
The CAS number of dibenzyl 2-[[4-oxo-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanedioate is 46177-21-3.
What is the molecular formula of dibenzyl 2-[[4-oxo-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanedioate?
The molecular formula of dibenzyl 2-[[4-oxo-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanedioate is C37H36N2O9.
What is the molecular weight of dibenzyl 2-[[4-oxo-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanedioate?
The molecular weight of dibenzyl 2-[[4-oxo-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanedioate is 652.24 g/mol.
Where can I buy dibenzyl 2-[[4-oxo-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanedioate?
You can request a quote for dibenzyl 2-[[4-oxo-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dibenzyl 2-[[4-oxo-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanedioate?
Yes, KEHONG BIO provides custom synthesis services for dibenzyl 2-[[4-oxo-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.