Dibenzyl 2-(phenylmethoxycarbonylamino)butanedioate
TL;DR: Dibenzyl 2-(phenylmethoxycarbonylamino)butanedioate (CAS 52718-78-2) is a chemical compound with molecular formula C26H25NO6 and molecular weight 447.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibenzyl 2-(phenylmethoxycarbonylamino)butanedioate
Also Known As: Z-Asp(OBzl)-OBzl, Cbz-Asp(OBzl)-OBzl, Z-L-aspartic acid dibenzyl ester, dibenzyl n-[(benzyloxy)carbonyl]aspartate, dibenzyl 2-(phenylmethoxycarbonylamino)butanedioate
| Molecular Formula | C26H25NO6 |
|---|---|
| Molecular Weight | 447.17 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 447.16818 |
| Heavy Atoms | 33 |
| Complexity | 606.0 |
Chemical Identifiers
| CAS Number | 52718-78-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CC(C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3 |
| InChIKey | ZPVDKMKHRJFPMC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibenzyl 2-(phenylmethoxycarbonylamino)butanedioate (CAS 52718-78-2), with molecular formula C26H25NO6 and molecular weight 447.17 g/mol. IUPAC: dibenzyl 2-(phenylmethoxycarbonylamino)butanedioate.
Chemical Property Profile of Dibenzyl 2-(phenylmethoxycarbonylamino)butanedioate
Property Insights of Dibenzyl 2-(phenylmethoxycarbonylamino)butanedioate
The XLogP value of 4.2 indicates that Dibenzyl 2-(phenylmethoxycarbonylamino)butanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibenzyl 2-(phenylmethoxycarbonylamino)butanedioate. Following Lipinski's Rule of Five, Dibenzyl 2-(phenylmethoxycarbonylamino)butanedioate has 1 hydrogen bond donor(s) and 6 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 Dibenzyl 2-(phenylmethoxycarbonylamino)butanedioate?
The CAS number of Dibenzyl 2-(phenylmethoxycarbonylamino)butanedioate is 52718-78-2.
What is the molecular formula of Dibenzyl 2-(phenylmethoxycarbonylamino)butanedioate?
The molecular formula of Dibenzyl 2-(phenylmethoxycarbonylamino)butanedioate is C26H25NO6.
What is the molecular weight of Dibenzyl 2-(phenylmethoxycarbonylamino)butanedioate?
The molecular weight of Dibenzyl 2-(phenylmethoxycarbonylamino)butanedioate is 447.17 g/mol.
Where can I buy Dibenzyl 2-(phenylmethoxycarbonylamino)butanedioate?
You can request a quote for Dibenzyl 2-(phenylmethoxycarbonylamino)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-(phenylmethoxycarbonylamino)butanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dibenzyl 2-(phenylmethoxycarbonylamino)butanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.