6-(Propan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
TL;DR: 6-(Propan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid (CAS 445008-91-3) is a chemical compound with molecular formula C11H17NO3 and molecular weight 211.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(propan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
Also Known As: 6-(propan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid, 6-[(isopropylamino)carbonyl]cyclohex-3-ene-1-carboxylic acid, 6-(isopropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid, 6-[N-(methylethyl)carbamoyl]cyclohex-3-enecarboxylic acid, 6-[oxo-(propan-2-ylamino)methyl]-1-cyclohex-3-enecarboxylic acid
| Molecular Formula | C11H17NO3 |
|---|---|
| Molecular Weight | 211.12 g/mol |
| LogP | 1.178 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.12085 |
| Heavy Atoms | 15 |
| Complexity | 283.55762 |
Chemical Identifiers
| CAS Number | 445008-91-3 |
|---|---|
| SMILES | CC(C)NC(=O)C1CC=CCC1C(=O)O |
Product Overview
6-(Propan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid (CAS 445008-91-3), with molecular formula C11H17NO3 and molecular weight 211.12 g/mol. IUPAC: 6-(propan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of 6-(Propan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
Property Insights of 6-(Propan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
The XLogP value of 1.178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Propan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(Propan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid. Following Lipinski's Rule of Five, 6-(Propan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid has 2 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 6-(Propan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid?
The CAS number of 6-(Propan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid is 445008-91-3.
What is the molecular formula of 6-(Propan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid?
The molecular formula of 6-(Propan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid is C11H17NO3.
What is the molecular weight of 6-(Propan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid?
The molecular weight of 6-(Propan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid is 211.12 g/mol.
Where can I buy 6-(Propan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid?
You can request a quote for 6-(Propan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Propan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-(Propan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.