1-Methylcyclohexanecarbonyl chloride
TL;DR: 1-Methylcyclohexanecarbonyl chloride (CAS 2890-61-1) is a chemical compound with molecular formula C8H13ClO and molecular weight 160.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylcyclohexane-1-carbonyl chloride
Also Known As: 1-METHYLCYCLOHEXANECARBONYL CHLORIDE, 1-methylcyclohexane-1-carbonyl Chloride, 1-METHYL-1-CYCLOHEXANECARBOXYLIC ACID CHLORIDE, 1-methyl-1-cyclohexanecarbonyl chloride, 1-Methylcyclohexanecarbonylchloride
| Molecular Formula | C8H13ClO |
|---|---|
| Molecular Weight | 160.07 g/mol |
| LogP | 2.7222 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 160.06549 |
| Heavy Atoms | 10 |
| Complexity | 136.19302 |
Chemical Identifiers
| CAS Number | 2890-61-1 |
|---|---|
| SMILES | CC1(CCCCC1)C(=O)Cl |
Product Overview
1-Methylcyclohexanecarbonyl chloride (CAS 2890-61-1), with molecular formula C8H13ClO and molecular weight 160.07 g/mol. IUPAC: 1-methylcyclohexane-1-carbonyl chloride.
Chemical Property Profile of 1-Methylcyclohexanecarbonyl chloride
Property Insights of 1-Methylcyclohexanecarbonyl chloride
The XLogP value of 2.7222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylcyclohexanecarbonyl chloride. With a topological polar surface area (TPSA) of 17.07 Ų, 1-Methylcyclohexanecarbonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylcyclohexanecarbonyl chloride has 0 hydrogen bond donor(s) and 1 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-Methylcyclohexanecarbonyl chloride?
The CAS number of 1-Methylcyclohexanecarbonyl chloride is 2890-61-1.
What is the molecular formula of 1-Methylcyclohexanecarbonyl chloride?
The molecular formula of 1-Methylcyclohexanecarbonyl chloride is C8H13ClO.
What is the molecular weight of 1-Methylcyclohexanecarbonyl chloride?
The molecular weight of 1-Methylcyclohexanecarbonyl chloride is 160.07 g/mol.
Where can I buy 1-Methylcyclohexanecarbonyl chloride?
You can request a quote for 1-Methylcyclohexanecarbonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylcyclohexanecarbonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylcyclohexanecarbonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.