4-phenylbutan-2-ylcarbamoylmethyl 2-(4-dimethylaminophenyl)diazenylbenzoate
TL;DR: 4-phenylbutan-2-ylcarbamoylmethyl 2-(4-dimethylaminophenyl)diazenylbenzoate (CAS 522643-74-9) is a chemical compound with molecular formula C27H30N4O3 and molecular weight 458.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate
Also Known As: 4-phenylbutan-2-ylcarbamoylmethyl 2-(4-dimethylaminophenyl)diazenylbenzoate, Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[(1-methyl-3-phenylpropyl)amino]-2-oxoethyl ester, [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(4-dimethylaminophenyl)diazenyl]benzoate
| Molecular Formula | C27H30N4O3 |
|---|---|
| Molecular Weight | 458.23 g/mol |
| LogP | 5.4623 |
| Topological Polar Surface Area | 83.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 458.23178 |
| Heavy Atoms | 34 |
| Complexity | 1112.2338 |
Chemical Identifiers
| CAS Number | 522643-74-9 |
|---|---|
| SMILES | CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CC=CC=C2N=NC3=CC=C(C=C3)N(C)C |
Product Overview
4-phenylbutan-2-ylcarbamoylmethyl 2-(4-dimethylaminophenyl)diazenylbenzoate (CAS 522643-74-9), with molecular formula C27H30N4O3 and molecular weight 458.23 g/mol. IUPAC: [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate.
Chemical Property Profile of 4-phenylbutan-2-ylcarbamoylmethyl 2-(4-dimethylaminophenyl)diazenylbenzoate
Property Insights of 4-phenylbutan-2-ylcarbamoylmethyl 2-(4-dimethylaminophenyl)diazenylbenzoate
The XLogP value of 5.4623 indicates that 4-phenylbutan-2-ylcarbamoylmethyl 2-(4-dimethylaminophenyl)diazenylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-phenylbutan-2-ylcarbamoylmethyl 2-(4-dimethylaminophenyl)diazenylbenzoate. Following Lipinski's Rule of Five, 4-phenylbutan-2-ylcarbamoylmethyl 2-(4-dimethylaminophenyl)diazenylbenzoate has 1 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 4-phenylbutan-2-ylcarbamoylmethyl 2-(4-dimethylaminophenyl)diazenylbenzoate?
The CAS number of 4-phenylbutan-2-ylcarbamoylmethyl 2-(4-dimethylaminophenyl)diazenylbenzoate is 522643-74-9.
What is the molecular formula of 4-phenylbutan-2-ylcarbamoylmethyl 2-(4-dimethylaminophenyl)diazenylbenzoate?
The molecular formula of 4-phenylbutan-2-ylcarbamoylmethyl 2-(4-dimethylaminophenyl)diazenylbenzoate is C27H30N4O3.
What is the molecular weight of 4-phenylbutan-2-ylcarbamoylmethyl 2-(4-dimethylaminophenyl)diazenylbenzoate?
The molecular weight of 4-phenylbutan-2-ylcarbamoylmethyl 2-(4-dimethylaminophenyl)diazenylbenzoate is 458.23 g/mol.
Where can I buy 4-phenylbutan-2-ylcarbamoylmethyl 2-(4-dimethylaminophenyl)diazenylbenzoate?
You can request a quote for 4-phenylbutan-2-ylcarbamoylmethyl 2-(4-dimethylaminophenyl)diazenylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-phenylbutan-2-ylcarbamoylmethyl 2-(4-dimethylaminophenyl)diazenylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-phenylbutan-2-ylcarbamoylmethyl 2-(4-dimethylaminophenyl)diazenylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.