4-Azido-2-nitrobutyric acid, 2,6-di-t-butyl-4-methoxyphenyl ester
TL;DR: 4-Azido-2-nitrobutyric acid, 2,6-di-t-butyl-4-methoxyphenyl ester (CAS 113719-06-5) is a chemical compound with molecular formula C19H28N4O5 and molecular weight 392.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,6-ditert-butyl-4-methoxyphenyl) 4-azido-2-nitrobutanoate
Also Known As: 4-Azido-2-nitrobutyric acid, 2,6-di-t-butyl-4-methoxyphenyl ester, (2,6-ditert-butyl-4-methoxyphenyl) 4-azido-2-nitrobutanoate, 2,6-Di-tert-butyl-4-methoxyphenyl 4-azido-2-nitrobutanoate, Butanoic acid,4-azido-2-nitro-, 2,6-bis(1,1-dimethylethyl)-4-methoxyphenyl ester, 4-AZIDO-2-NITROBUTYRIC ACID 2,6-DI-TERT-BUTYL-4-METHOXYPHENYL ESTER
| Molecular Formula | C19H28N4O5 |
|---|---|
| Molecular Weight | 392.21 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 95.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 392.20596 |
| Heavy Atoms | 28 |
| Complexity | 575.0 |
Chemical Identifiers
| CAS Number | 113719-06-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1OC(=O)C(CCN=[N+]=[N-])[N+](=O)[O-])C(C)(C)C)OC |
| InChIKey | WYKZJPKNYAXRDD-UHFFFAOYSA-N |
Product Overview
4-Azido-2-nitrobutyric acid, 2,6-di-t-butyl-4-methoxyphenyl ester (CAS 113719-06-5), with molecular formula C19H28N4O5 and molecular weight 392.21 g/mol. IUPAC: (2,6-ditert-butyl-4-methoxyphenyl) 4-azido-2-nitrobutanoate.
Chemical Property Profile of 4-Azido-2-nitrobutyric acid, 2,6-di-t-butyl-4-methoxyphenyl ester
Property Insights of 4-Azido-2-nitrobutyric acid, 2,6-di-t-butyl-4-methoxyphenyl ester
The XLogP value of 6.3 indicates that 4-Azido-2-nitrobutyric acid, 2,6-di-t-butyl-4-methoxyphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Azido-2-nitrobutyric acid, 2,6-di-t-butyl-4-methoxyphenyl ester. Following Lipinski's Rule of Five, 4-Azido-2-nitrobutyric acid, 2,6-di-t-butyl-4-methoxyphenyl ester has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Azido-2-nitrobutyric acid, 2,6-di-t-butyl-4-methoxyphenyl ester?
The CAS number of 4-Azido-2-nitrobutyric acid, 2,6-di-t-butyl-4-methoxyphenyl ester is 113719-06-5.
What is the molecular formula of 4-Azido-2-nitrobutyric acid, 2,6-di-t-butyl-4-methoxyphenyl ester?
The molecular formula of 4-Azido-2-nitrobutyric acid, 2,6-di-t-butyl-4-methoxyphenyl ester is C19H28N4O5.
What is the molecular weight of 4-Azido-2-nitrobutyric acid, 2,6-di-t-butyl-4-methoxyphenyl ester?
The molecular weight of 4-Azido-2-nitrobutyric acid, 2,6-di-t-butyl-4-methoxyphenyl ester is 392.21 g/mol.
Where can I buy 4-Azido-2-nitrobutyric acid, 2,6-di-t-butyl-4-methoxyphenyl ester?
You can request a quote for 4-Azido-2-nitrobutyric acid, 2,6-di-t-butyl-4-methoxyphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Azido-2-nitrobutyric acid, 2,6-di-t-butyl-4-methoxyphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Azido-2-nitrobutyric acid, 2,6-di-t-butyl-4-methoxyphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.