1,3,5-Cycloheptatriene-1-carbamic acid, 7-oxo-, ethyl ester
TL;DR: 1,3,5-Cycloheptatriene-1-carbamic acid, 7-oxo-, ethyl ester (CAS 18188-87-9) 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.
ethyl N-(7-oxocyclohepta-1,3,5-trien-1-yl)carbamate
Also Known As: N-(2-Troponyl)ethylurethan, 2-(ethoxycarbonylamino)tropone, 1,3,5-CYCLOHEPTATRIENE-1-CARBAMIC ACID, 7-OXO-, ETHYL ESTER, ethyl N-(7-oxocyclohepta-1,3,5-trien-1-yl)carbamate, 7-Oxo-1,3,5-cycloheptatriene-1-carbamic acid ethyl ester
| Molecular Formula | C10H11NO3 |
|---|---|
| Molecular Weight | 193.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.0739 |
| Heavy Atoms | 14 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 18188-87-9 |
|---|---|
| SMILES | CCOC(=O)NC1=CC=CC=CC1=O |
| InChIKey | ZDMKAROHCJCELW-UHFFFAOYSA-N |
Product Overview
1,3,5-Cycloheptatriene-1-carbamic acid, 7-oxo-, ethyl ester (CAS 18188-87-9), with molecular formula C10H11NO3 and molecular weight 193.07 g/mol. IUPAC: ethyl N-(7-oxocyclohepta-1,3,5-trien-1-yl)carbamate.
Chemical Property Profile of 1,3,5-Cycloheptatriene-1-carbamic acid, 7-oxo-, ethyl ester
Property Insights of 1,3,5-Cycloheptatriene-1-carbamic acid, 7-oxo-, ethyl ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,5-Cycloheptatriene-1-carbamic acid, 7-oxo-, ethyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, 1,3,5-Cycloheptatriene-1-carbamic acid, 7-oxo-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,5-Cycloheptatriene-1-carbamic acid, 7-oxo-, ethyl ester has 1 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 1,3,5-Cycloheptatriene-1-carbamic acid, 7-oxo-, ethyl ester?
The CAS number of 1,3,5-Cycloheptatriene-1-carbamic acid, 7-oxo-, ethyl ester is 18188-87-9.
What is the molecular formula of 1,3,5-Cycloheptatriene-1-carbamic acid, 7-oxo-, ethyl ester?
The molecular formula of 1,3,5-Cycloheptatriene-1-carbamic acid, 7-oxo-, ethyl ester is C10H11NO3.
What is the molecular weight of 1,3,5-Cycloheptatriene-1-carbamic acid, 7-oxo-, ethyl ester?
The molecular weight of 1,3,5-Cycloheptatriene-1-carbamic acid, 7-oxo-, ethyl ester is 193.07 g/mol.
Where can I buy 1,3,5-Cycloheptatriene-1-carbamic acid, 7-oxo-, ethyl ester?
You can request a quote for 1,3,5-Cycloheptatriene-1-carbamic acid, 7-oxo-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5-Cycloheptatriene-1-carbamic acid, 7-oxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Cycloheptatriene-1-carbamic acid, 7-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.