tert-butyl N-(3,6-dioxocyclohexa-1,4-dien-1-yl)carbamate
TL;DR: tert-butyl N-(3,6-dioxocyclohexa-1,4-dien-1-yl)carbamate (CAS 321528-63-6) is a chemical compound with molecular formula C11H13NO4 and molecular weight 223.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(3,6-dioxocyclohexa-1,4-dien-1-yl)carbamate
Also Known As: 2-(tert-butoxycarbonylamino)-1,4-benzoquinone, Tert-butyl N-(3,6-dioxo-1-cyclohexa-1,4-dienyl)carbamate
| Molecular Formula | C11H13NO4 |
|---|---|
| Molecular Weight | 223.08 g/mol |
| LogP | 1.103 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.08446 |
| Heavy Atoms | 16 |
| Complexity | 398.69785 |
Chemical Identifiers
| CAS Number | 321528-63-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1=CC(=O)C=CC1=O |
Product Overview
tert-butyl N-(3,6-dioxocyclohexa-1,4-dien-1-yl)carbamate (CAS 321528-63-6), with molecular formula C11H13NO4 and molecular weight 223.08 g/mol. IUPAC: tert-butyl N-(3,6-dioxocyclohexa-1,4-dien-1-yl)carbamate.
Chemical Property Profile of tert-butyl N-(3,6-dioxocyclohexa-1,4-dien-1-yl)carbamate
Property Insights of tert-butyl N-(3,6-dioxocyclohexa-1,4-dien-1-yl)carbamate
The XLogP value of 1.103 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl N-(3,6-dioxocyclohexa-1,4-dien-1-yl)carbamate. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl N-(3,6-dioxocyclohexa-1,4-dien-1-yl)carbamate. Following Lipinski's Rule of Five, tert-butyl N-(3,6-dioxocyclohexa-1,4-dien-1-yl)carbamate has 1 hydrogen bond donor(s) and 4 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 tert-butyl N-(3,6-dioxocyclohexa-1,4-dien-1-yl)carbamate?
The CAS number of tert-butyl N-(3,6-dioxocyclohexa-1,4-dien-1-yl)carbamate is 321528-63-6.
What is the molecular formula of tert-butyl N-(3,6-dioxocyclohexa-1,4-dien-1-yl)carbamate?
The molecular formula of tert-butyl N-(3,6-dioxocyclohexa-1,4-dien-1-yl)carbamate is C11H13NO4.
What is the molecular weight of tert-butyl N-(3,6-dioxocyclohexa-1,4-dien-1-yl)carbamate?
The molecular weight of tert-butyl N-(3,6-dioxocyclohexa-1,4-dien-1-yl)carbamate is 223.08 g/mol.
Where can I buy tert-butyl N-(3,6-dioxocyclohexa-1,4-dien-1-yl)carbamate?
You can request a quote for tert-butyl N-(3,6-dioxocyclohexa-1,4-dien-1-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl N-(3,6-dioxocyclohexa-1,4-dien-1-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl N-(3,6-dioxocyclohexa-1,4-dien-1-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.