2,4-dinitrophenyl-4-O-(4,4'-dimethoxytrityl)butyrate
TL;DR: 2,4-dinitrophenyl-4-O-(4,4'-dimethoxytrityl)butyrate (CAS 123658-23-1) is a chemical compound with molecular formula C31H28N2O9 and molecular weight 572.1795 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2,4-dinitrophenyl) 4-[bis(4-methoxyphenyl)-phenylmethoxy]butanoate
Also Known As: DDTB, 2,4-Dinitrophenyl-4-O-(4,4'-dimethoxytrityl)butyrate, (2,4-dinitrophenyl) 4-[bis(4-methoxyphenyl)-phenylmethoxy]butanoate, 2,4-Dinitrophenyl 4-[bis(4-methoxyphenyl)(phenyl)methoxy]butanoate, Butanoic acid, 4-(bis(4-methoxyphenyl)phenylmethoxy)-, 2,4-dinitrophenyl ester
Technical Specifications
| Molecular Formula | C31H28N2O9 |
| Molecular Weight | 572.1795 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 146.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 572.1795 Da |
| Heavy Atoms | 42 |
| Complexity | 845.0 |
| SMILES | COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCCCC(=O)OC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | VGDVDUNAKOZZAO-UHFFFAOYSA-N |
Chemical Property Profile of 2,4-dinitrophenyl-4-O-(4,4'-dimethoxytrityl)butyrate
Property Insights of 2,4-dinitrophenyl-4-O-(4,4'-dimethoxytrityl)butyrate
The XLogP value of 6.1 indicates that 2,4-dinitrophenyl-4-O-(4,4'-dimethoxytrityl)butyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.0 Ų indicates high polarity, suggesting 2,4-dinitrophenyl-4-O-(4,4'-dimethoxytrityl)butyrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4-dinitrophenyl-4-O-(4,4'-dimethoxytrityl)butyrate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2,4-dinitrophenyl-4-O-(4,4'-dimethoxytrityl)butyrate?
The CAS number of 2,4-dinitrophenyl-4-O-(4,4'-dimethoxytrityl)butyrate is 123658-23-1.
What is the molecular formula of 2,4-dinitrophenyl-4-O-(4,4'-dimethoxytrityl)butyrate?
The molecular formula of 2,4-dinitrophenyl-4-O-(4,4'-dimethoxytrityl)butyrate is C31H28N2O9.
What is the molecular weight of 2,4-dinitrophenyl-4-O-(4,4'-dimethoxytrityl)butyrate?
The molecular weight of 2,4-dinitrophenyl-4-O-(4,4'-dimethoxytrityl)butyrate is 572.1795 g/mol.
Where can I buy 2,4-dinitrophenyl-4-O-(4,4'-dimethoxytrityl)butyrate?
You can request a quote for 2,4-dinitrophenyl-4-O-(4,4'-dimethoxytrityl)butyrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4-dinitrophenyl-4-O-(4,4'-dimethoxytrityl)butyrate?
Yes, CoreyChem provides custom synthesis services for 2,4-dinitrophenyl-4-O-(4,4'-dimethoxytrityl)butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.