![{[2-(Cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl 2-chloropyridine-3-carboxylate structure](/static/products/4385/438595-65-4.webp)
{[2-(Cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl 2-chloropyridine-3-carboxylate
TL;DR: {[2-(Cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl 2-chloropyridine-3-carboxylate (CAS 438595-65-4) is a chemical compound with molecular formula C16H19ClN2O3 and molecular weight 322.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
Also Known As: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-chloropyridine-3-carboxylate|{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl 2-chloropyridine-3-carboxylate|2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl 2-chloropyridine-3-carboxylate|MLS001004288|SMR000347872|EN300-26596600
| Molecular Formula | C16H19ClN2O3 |
|---|---|
| Molecular Weight | 322.11 g/mol |
| LogP | 2.8985 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.10843 |
| Heavy Atoms | 22 |
| Complexity | 572.2643 |
Chemical Identifiers
| CAS Number | 438595-65-4 |
|---|---|
| SMILES | C1CCC(=CC1)CCNC(=O)COC(=O)C2=C(N=CC=C2)Cl |
Product Overview
{[2-(Cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl 2-chloropyridine-3-carboxylate (CAS 438595-65-4), with molecular formula C16H19ClN2O3 and molecular weight 322.11 g/mol. IUPAC: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-chloropyridine-3-carboxylate.
Chemical Property Profile of {[2-(Cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl 2-chloropyridine-3-carboxylate
Property Insights of {[2-(Cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl 2-chloropyridine-3-carboxylate
The XLogP value of 2.8985 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {[2-(Cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl 2-chloropyridine-3-carboxylate. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for {[2-(Cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl 2-chloropyridine-3-carboxylate. Following Lipinski's Rule of Five, {[2-(Cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl 2-chloropyridine-3-carboxylate 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 {[2-(Cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl 2-chloropyridine-3-carboxylate?
The CAS number of {[2-(Cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl 2-chloropyridine-3-carboxylate is 438595-65-4.
What is the molecular formula of {[2-(Cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl 2-chloropyridine-3-carboxylate?
The molecular formula of {[2-(Cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl 2-chloropyridine-3-carboxylate is C16H19ClN2O3.
What is the molecular weight of {[2-(Cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl 2-chloropyridine-3-carboxylate?
The molecular weight of {[2-(Cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl 2-chloropyridine-3-carboxylate is 322.11 g/mol.
Where can I buy {[2-(Cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl 2-chloropyridine-3-carboxylate?
You can request a quote for {[2-(Cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl 2-chloropyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {[2-(Cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl 2-chloropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for {[2-(Cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl 2-chloropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.