AB01330039-02
TL;DR: AB01330039-02 (CAS 1005246-57-0) is a chemical compound with molecular formula C16H27NO3 and molecular weight 281.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3,3-dimethylbutan-2-ylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Also Known As: AB01330039-02, 3,4-dimethyl-6-[N-(1,2,2-trimethylpropyl)carbamoyl]cyclohex-3-enecarboxylic ac id, 6-((3,3-dimethylbutan-2-yl)carbamoyl)-3,4-dimethylcyclohex-3-enecarboxylic acid, 6-(3,3-dimethylbutan-2-ylcarbamoyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylic Acid, 6-(3,3-dimethylbutan-2-ylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
| Molecular Formula | C16H27NO3 |
|---|---|
| Molecular Weight | 281.20 g/mol |
| LogP | 2.9844 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.1991 |
| Heavy Atoms | 20 |
| Complexity | 431.49316 |
Chemical Identifiers
| CAS Number | 1005246-57-0 |
|---|---|
| SMILES | CC1=C(CC(C(C1)C(=O)NC(C)C(C)(C)C)C(=O)O)C |
Product Overview
AB01330039-02 (CAS 1005246-57-0), with molecular formula C16H27NO3 and molecular weight 281.20 g/mol. IUPAC: 6-(3,3-dimethylbutan-2-ylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of AB01330039-02
Property Insights of AB01330039-02
The XLogP value of 2.9844 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01330039-02. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01330039-02. Following Lipinski's Rule of Five, AB01330039-02 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 AB01330039-02?
The CAS number of AB01330039-02 is 1005246-57-0.
What is the molecular formula of AB01330039-02?
The molecular formula of AB01330039-02 is C16H27NO3.
What is the molecular weight of AB01330039-02?
The molecular weight of AB01330039-02 is 281.20 g/mol.
Where can I buy AB01330039-02?
You can request a quote for AB01330039-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01330039-02?
Yes, KEHONG BIO provides custom synthesis services for AB01330039-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.