2-Methylcyclohexanecarbonyl chloride
TL;DR: 2-Methylcyclohexanecarbonyl chloride (CAS 90403-98-8) 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.
2-methylcyclohexane-1-carbonyl chloride
Also Known As: 2-methylcyclohexanecarbonyl chloride, 2-methylcyclohexane-1-carbonyl chloride, Cyclohexanecarbonylchloride, 2-methyl-, 2-methylcyclohexanoyl chloride, 2-Methyl-cyclohexanecarbonyl chloride
| Molecular Formula | C8H13ClO |
|---|---|
| Molecular Weight | 160.07 g/mol |
| LogP | 2.5781 |
| 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 | 133.21928 |
Chemical Identifiers
| CAS Number | 90403-98-8 |
|---|---|
| SMILES | CC1CCCCC1C(=O)Cl |
Product Overview
2-Methylcyclohexanecarbonyl chloride (CAS 90403-98-8), with molecular formula C8H13ClO and molecular weight 160.07 g/mol. IUPAC: 2-methylcyclohexane-1-carbonyl chloride.
Chemical Property Profile of 2-Methylcyclohexanecarbonyl chloride
Property Insights of 2-Methylcyclohexanecarbonyl chloride
The XLogP value of 2.5781 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylcyclohexanecarbonyl chloride. With a topological polar surface area (TPSA) of 17.07 Ų, 2-Methylcyclohexanecarbonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-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 2-Methylcyclohexanecarbonyl chloride?
The CAS number of 2-Methylcyclohexanecarbonyl chloride is 90403-98-8.
What is the molecular formula of 2-Methylcyclohexanecarbonyl chloride?
The molecular formula of 2-Methylcyclohexanecarbonyl chloride is C8H13ClO.
What is the molecular weight of 2-Methylcyclohexanecarbonyl chloride?
The molecular weight of 2-Methylcyclohexanecarbonyl chloride is 160.07 g/mol.
Where can I buy 2-Methylcyclohexanecarbonyl chloride?
You can request a quote for 2-Methylcyclohexanecarbonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylcyclohexanecarbonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylcyclohexanecarbonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.