cyclooctyl N-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)carbamate
TL;DR: cyclooctyl N-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)carbamate (CAS 439093-86-4) is a chemical compound with molecular formula C19H20ClNO4 and molecular weight 361.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclooctyl N-(3-chloro-1,4-dioxonaphthalen-2-yl)carbamate
Also Known As: Bionet1_000052, MixCom2_000203, cyclooctyl N-(3-chloro-1,4-dioxonaphthalen-2-yl)carbamate, cyclooctyl N-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)carbamate, 11R-0244
| Molecular Formula | C19H20ClNO4 |
|---|---|
| Molecular Weight | 361.11 g/mol |
| LogP | 4.3551 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 361.1081 |
| Heavy Atoms | 25 |
| Complexity | 732.6946 |
Chemical Identifiers
| CAS Number | 439093-86-4 |
|---|---|
| SMILES | C1CCCC(CCC1)OC(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl |
Product Overview
cyclooctyl N-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)carbamate (CAS 439093-86-4), with molecular formula C19H20ClNO4 and molecular weight 361.11 g/mol. IUPAC: cyclooctyl N-(3-chloro-1,4-dioxonaphthalen-2-yl)carbamate.
Chemical Property Profile of cyclooctyl N-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)carbamate
Property Insights of cyclooctyl N-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)carbamate
The XLogP value of 4.3551 indicates that cyclooctyl N-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for cyclooctyl N-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)carbamate. Following Lipinski's Rule of Five, cyclooctyl N-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)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 cyclooctyl N-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)carbamate?
The CAS number of cyclooctyl N-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)carbamate is 439093-86-4.
What is the molecular formula of cyclooctyl N-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)carbamate?
The molecular formula of cyclooctyl N-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)carbamate is C19H20ClNO4.
What is the molecular weight of cyclooctyl N-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)carbamate?
The molecular weight of cyclooctyl N-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)carbamate is 361.11 g/mol.
Where can I buy cyclooctyl N-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)carbamate?
You can request a quote for cyclooctyl N-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cyclooctyl N-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for cyclooctyl N-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.