7-Oxocyclohepta-1,3,5-trien-1-yl dimethylcarbamate
TL;DR: 7-Oxocyclohepta-1,3,5-trien-1-yl dimethylcarbamate (CAS 20980-82-9) is a chemical compound with molecular formula C10H11NO3 and molecular weight 193.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-oxocyclohepta-1,3,5-trien-1-yl) N,N-dimethylcarbamate
Also Known As: BAS 01280702, 7-oxocyclohepta-1,3,5-trien-1-yl dimethylcarbamate, J3.573.207A, 2-(Dimethylcarbamoyloxy)-2,4,6-cycloheptatriene-1-one, 7-OXOCYCLOHEPTA-1,3,5-TRIEN-1-YL N,N-DIMETHYLCARBAMATE
| Molecular Formula | C10H11NO3 |
|---|---|
| Molecular Weight | 193.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.0739 |
| Heavy Atoms | 14 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 20980-82-9 |
|---|---|
| SMILES | CN(C)C(=O)OC1=CC=CC=CC1=O |
| InChIKey | RVODFEPDMQRXOZ-UHFFFAOYSA-N |
Product Overview
7-Oxocyclohepta-1,3,5-trien-1-yl dimethylcarbamate (CAS 20980-82-9), with molecular formula C10H11NO3 and molecular weight 193.07 g/mol. IUPAC: (7-oxocyclohepta-1,3,5-trien-1-yl) N,N-dimethylcarbamate.
Chemical Property Profile of 7-Oxocyclohepta-1,3,5-trien-1-yl dimethylcarbamate
Property Insights of 7-Oxocyclohepta-1,3,5-trien-1-yl dimethylcarbamate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Oxocyclohepta-1,3,5-trien-1-yl dimethylcarbamate. With a topological polar surface area (TPSA) of 46.6 Ų, 7-Oxocyclohepta-1,3,5-trien-1-yl dimethylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Oxocyclohepta-1,3,5-trien-1-yl dimethylcarbamate has 0 hydrogen bond donor(s) and 3 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 7-Oxocyclohepta-1,3,5-trien-1-yl dimethylcarbamate?
The CAS number of 7-Oxocyclohepta-1,3,5-trien-1-yl dimethylcarbamate is 20980-82-9.
What is the molecular formula of 7-Oxocyclohepta-1,3,5-trien-1-yl dimethylcarbamate?
The molecular formula of 7-Oxocyclohepta-1,3,5-trien-1-yl dimethylcarbamate is C10H11NO3.
What is the molecular weight of 7-Oxocyclohepta-1,3,5-trien-1-yl dimethylcarbamate?
The molecular weight of 7-Oxocyclohepta-1,3,5-trien-1-yl dimethylcarbamate is 193.07 g/mol.
Where can I buy 7-Oxocyclohepta-1,3,5-trien-1-yl dimethylcarbamate?
You can request a quote for 7-Oxocyclohepta-1,3,5-trien-1-yl dimethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Oxocyclohepta-1,3,5-trien-1-yl dimethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 7-Oxocyclohepta-1,3,5-trien-1-yl dimethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.