Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diimino)bis-, bis(1,1-dimethylethyl) ester
TL;DR: Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diimino)bis-, bis(1,1-dimethylethyl) ester (CAS 101646-12-2) is a chemical compound with molecular formula C32H34N2O6 and molecular weight 542.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamoyl]-3-phenylprop-2-enoyl]amino]benzoate
Also Known As: Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diimino)bis-, bis(1,1-dimethylethyl) ester, Benzoic acid,2,2'-[[1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl]diimino]bis-,bis(1,1-dimethylethyl) ester (9CI), tert-butyl 2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamoyl]-3-phenylprop-2-enoyl]amino]benzoate, di-tertiary butyl 2,2'-[(1,3-dioxo-2-phenylmethylene-1,3-propanediyl)diimino]bisbenzoate, tert-Butyl 2-(2-{[2-(tert-butoxycarbonyl)phenyl]carbamoyl}-3-phenylprop-2-enamido)benzoate
| Molecular Formula | C32H34N2O6 |
|---|---|
| Molecular Weight | 542.24 g/mol |
| LogP | 6.258 |
| Topological Polar Surface Area | 110.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 542.2417 |
| Heavy Atoms | 40 |
| Complexity | 1342.0049 |
Chemical Identifiers
| CAS Number | 101646-12-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C1=CC=CC=C1NC(=O)C(=CC2=CC=CC=C2)C(=O)NC3=CC=CC=C3C(=O)OC(C)(C)C |
Product Overview
Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diimino)bis-, bis(1,1-dimethylethyl) ester (CAS 101646-12-2), with molecular formula C32H34N2O6 and molecular weight 542.24 g/mol. IUPAC: tert-butyl 2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamoyl]-3-phenylprop-2-enoyl]amino]benzoate.
Chemical Property Profile of Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diimino)bis-, bis(1,1-dimethylethyl) ester
Property Insights of Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diimino)bis-, bis(1,1-dimethylethyl) ester
The XLogP value of 6.258 indicates that Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diimino)bis-, bis(1,1-dimethylethyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diimino)bis-, bis(1,1-dimethylethyl) ester. Following Lipinski's Rule of Five, Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diimino)bis-, bis(1,1-dimethylethyl) ester has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diimino)bis-, bis(1,1-dimethylethyl) ester?
The CAS number of Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diimino)bis-, bis(1,1-dimethylethyl) ester is 101646-12-2.
What is the molecular formula of Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diimino)bis-, bis(1,1-dimethylethyl) ester?
The molecular formula of Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diimino)bis-, bis(1,1-dimethylethyl) ester is C32H34N2O6.
What is the molecular weight of Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diimino)bis-, bis(1,1-dimethylethyl) ester?
The molecular weight of Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diimino)bis-, bis(1,1-dimethylethyl) ester is 542.24 g/mol.
Where can I buy Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diimino)bis-, bis(1,1-dimethylethyl) ester?
You can request a quote for Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diimino)bis-, bis(1,1-dimethylethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diimino)bis-, bis(1,1-dimethylethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diimino)bis-, bis(1,1-dimethylethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.