Dibenzyl N-(phosphonoacetyl)aspartate
TL;DR: Dibenzyl N-(phosphonoacetyl)aspartate (CAS 70962-64-0) is a chemical compound with molecular formula C20H22NO8P and molecular weight 435.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[[1,4-dioxo-1,4-bis(phenylmethoxy)butan-2-yl]amino]-2-oxoethyl]phosphonic acid
Also Known As: Dibenzyl N-(phosphonoacetyl)aspartate, [2-[[1,4-dioxo-1,4-bis(phenylmethoxy)butan-2-yl]amino]-2-oxoethyl]phosphonic acid
| Molecular Formula | C20H22NO8P |
|---|---|
| Molecular Weight | 435.11 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 435.1083 |
| Heavy Atoms | 30 |
| Complexity | 622.0 |
Chemical Identifiers
| CAS Number | 70962-64-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CC(C(=O)OCC2=CC=CC=C2)NC(=O)CP(=O)(O)O |
| InChIKey | FKUGSGPZQIDQDT-UHFFFAOYSA-N |
Product Overview
Dibenzyl N-(phosphonoacetyl)aspartate (CAS 70962-64-0), with molecular formula C20H22NO8P and molecular weight 435.11 g/mol. IUPAC: [2-[[1,4-dioxo-1,4-bis(phenylmethoxy)butan-2-yl]amino]-2-oxoethyl]phosphonic acid.
Chemical Property Profile of Dibenzyl N-(phosphonoacetyl)aspartate
Property Insights of Dibenzyl N-(phosphonoacetyl)aspartate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibenzyl N-(phosphonoacetyl)aspartate. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibenzyl N-(phosphonoacetyl)aspartate. Following Lipinski's Rule of Five, Dibenzyl N-(phosphonoacetyl)aspartate has 3 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 Dibenzyl N-(phosphonoacetyl)aspartate?
The CAS number of Dibenzyl N-(phosphonoacetyl)aspartate is 70962-64-0.
What is the molecular formula of Dibenzyl N-(phosphonoacetyl)aspartate?
The molecular formula of Dibenzyl N-(phosphonoacetyl)aspartate is C20H22NO8P.
What is the molecular weight of Dibenzyl N-(phosphonoacetyl)aspartate?
The molecular weight of Dibenzyl N-(phosphonoacetyl)aspartate is 435.11 g/mol.
Where can I buy Dibenzyl N-(phosphonoacetyl)aspartate?
You can request a quote for Dibenzyl N-(phosphonoacetyl)aspartate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzyl N-(phosphonoacetyl)aspartate?
Yes, KEHONG BIO provides custom synthesis services for Dibenzyl N-(phosphonoacetyl)aspartate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.