1,4-Cyclohexadiene-1-carboximidic acid, N-cyclohexyl-, methyl ester
TL;DR: 1,4-Cyclohexadiene-1-carboximidic acid, N-cyclohexyl-, methyl ester (CAS 63013-29-6) is a chemical compound with molecular formula C14H21NO and molecular weight 219.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-cyclohexylcyclohexa-1,4-diene-1-carboximidate
Also Known As: methyl N-cyclohexylcyclohexa-1,4-diene-1-carboximidate, 1,4-Cyclohexadiene-1-carboximidic acid, N-cyclohexyl-, methyl ester, Methyl N-cyclohexyl-1,4-cyclohexadiene-1-carboximidoate, Methyl N-cyclohexyl-1,4-cyclohexadiene-1-carboximidoate #
| Molecular Formula | C14H21NO |
|---|---|
| Molecular Weight | 219.16 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 21.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.16231 |
| Heavy Atoms | 16 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 63013-29-6 |
|---|---|
| SMILES | COC(=NC1CCCCC1)C2=CCC=CC2 |
| InChIKey | XITHLDRSNKGQPO-UHFFFAOYSA-N |
Product Overview
1,4-Cyclohexadiene-1-carboximidic acid, N-cyclohexyl-, methyl ester (CAS 63013-29-6), with molecular formula C14H21NO and molecular weight 219.16 g/mol. IUPAC: methyl N-cyclohexylcyclohexa-1,4-diene-1-carboximidate.
Chemical Property Profile of 1,4-Cyclohexadiene-1-carboximidic acid, N-cyclohexyl-, methyl ester
Property Insights of 1,4-Cyclohexadiene-1-carboximidic acid, N-cyclohexyl-, methyl ester
The XLogP value of 3.6 indicates that 1,4-Cyclohexadiene-1-carboximidic acid, N-cyclohexyl-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.6 Ų, 1,4-Cyclohexadiene-1-carboximidic acid, N-cyclohexyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Cyclohexadiene-1-carboximidic acid, N-cyclohexyl-, methyl ester has 0 hydrogen bond donor(s) and 2 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 1,4-Cyclohexadiene-1-carboximidic acid, N-cyclohexyl-, methyl ester?
The CAS number of 1,4-Cyclohexadiene-1-carboximidic acid, N-cyclohexyl-, methyl ester is 63013-29-6.
What is the molecular formula of 1,4-Cyclohexadiene-1-carboximidic acid, N-cyclohexyl-, methyl ester?
The molecular formula of 1,4-Cyclohexadiene-1-carboximidic acid, N-cyclohexyl-, methyl ester is C14H21NO.
What is the molecular weight of 1,4-Cyclohexadiene-1-carboximidic acid, N-cyclohexyl-, methyl ester?
The molecular weight of 1,4-Cyclohexadiene-1-carboximidic acid, N-cyclohexyl-, methyl ester is 219.16 g/mol.
Where can I buy 1,4-Cyclohexadiene-1-carboximidic acid, N-cyclohexyl-, methyl ester?
You can request a quote for 1,4-Cyclohexadiene-1-carboximidic acid, N-cyclohexyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Cyclohexadiene-1-carboximidic acid, N-cyclohexyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Cyclohexadiene-1-carboximidic acid, N-cyclohexyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.