Cyclohexene-1-carboxylic acid, 2-((4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamoyl)-, methyl ester
TL;DR: Cyclohexene-1-carboxylic acid, 2-((4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamoyl)-, methyl ester (CAS 122855-02-1) is a chemical compound with molecular formula C18H21ClFNO4 and molecular weight 369.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamoyl]cyclohexene-1-carboxylate
Also Known As: Cyclohexene-1-carboxylic acid, 2-((4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamoyl)-, methyl ester, Methyl 2-((4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamoyl)cyclohexene-1-carboxylate, Methyl 2-[(4-chloro-2-fluoro-5-propan-2-yloxy-phenyl)carbamoyl]cyclohexene-1-carboxylate, methyl 2-[(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamoyl]cyclohexene-1-carboxylate, Methyl 2-({4-chloro-2-fluoro-5-[(propan-2-yl)oxy]phenyl}carbamoyl)cyclohex-1-ene-1-carboxylate
| Molecular Formula | C18H21ClFNO4 |
|---|---|
| Molecular Weight | 369.11 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 369.11432 |
| Heavy Atoms | 25 |
| Complexity | 537.0 |
Chemical Identifiers
| CAS Number | 122855-02-1 |
|---|---|
| SMILES | CC(C)OC1=C(C=C(C(=C1)NC(=O)C2=C(CCCC2)C(=O)OC)F)Cl |
| InChIKey | UMJWRTJADZPGEL-UHFFFAOYSA-N |
Product Overview
Cyclohexene-1-carboxylic acid, 2-((4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamoyl)-, methyl ester (CAS 122855-02-1), with molecular formula C18H21ClFNO4 and molecular weight 369.11 g/mol. IUPAC: methyl 2-[(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamoyl]cyclohexene-1-carboxylate.
Chemical Property Profile of Cyclohexene-1-carboxylic acid, 2-((4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamoyl)-, methyl ester
Property Insights of Cyclohexene-1-carboxylic acid, 2-((4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamoyl)-, methyl ester
The XLogP value of 4.1 indicates that Cyclohexene-1-carboxylic acid, 2-((4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamoyl)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclohexene-1-carboxylic acid, 2-((4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamoyl)-, methyl ester. Following Lipinski's Rule of Five, Cyclohexene-1-carboxylic acid, 2-((4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamoyl)-, methyl ester has 1 hydrogen bond donor(s) and 5 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 Cyclohexene-1-carboxylic acid, 2-((4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamoyl)-, methyl ester?
The CAS number of Cyclohexene-1-carboxylic acid, 2-((4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamoyl)-, methyl ester is 122855-02-1.
What is the molecular formula of Cyclohexene-1-carboxylic acid, 2-((4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamoyl)-, methyl ester?
The molecular formula of Cyclohexene-1-carboxylic acid, 2-((4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamoyl)-, methyl ester is C18H21ClFNO4.
What is the molecular weight of Cyclohexene-1-carboxylic acid, 2-((4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamoyl)-, methyl ester?
The molecular weight of Cyclohexene-1-carboxylic acid, 2-((4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamoyl)-, methyl ester is 369.11 g/mol.
Where can I buy Cyclohexene-1-carboxylic acid, 2-((4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamoyl)-, methyl ester?
You can request a quote for Cyclohexene-1-carboxylic acid, 2-((4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamoyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexene-1-carboxylic acid, 2-((4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamoyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexene-1-carboxylic acid, 2-((4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamoyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.