3-Methyladipoyl chloride
TL;DR: 3-Methyladipoyl chloride (CAS 44987-62-4) is a chemical compound with molecular formula C7H10Cl2O2 and molecular weight 196.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylhexanedioyl dichloride
Also Known As: 3-Methyladipoyl chloride, 3-Methylhexanedioyl dichloride, MethyllycernuateA, 3-Methyladipoylchloride, 3-Methyl-adipoylchlorid
| Molecular Formula | C7H10Cl2O2 |
|---|---|
| Molecular Weight | 196.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 196.00578 |
| Heavy Atoms | 11 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 44987-62-4 |
|---|---|
| SMILES | CC(CCC(=O)Cl)CC(=O)Cl |
| InChIKey | YDDUPABDRNKFDU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyladipoyl chloride (CAS 44987-62-4), with molecular formula C7H10Cl2O2 and molecular weight 196.01 g/mol. IUPAC: 3-methylhexanedioyl dichloride.
Chemical Property Profile of 3-Methyladipoyl chloride
Property Insights of 3-Methyladipoyl chloride
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyladipoyl chloride. With a topological polar surface area (TPSA) of 34.1 Ų, 3-Methyladipoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyladipoyl chloride has 0 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 3-Methyladipoyl chloride?
The CAS number of 3-Methyladipoyl chloride is 44987-62-4.
What is the molecular formula of 3-Methyladipoyl chloride?
The molecular formula of 3-Methyladipoyl chloride is C7H10Cl2O2.
What is the molecular weight of 3-Methyladipoyl chloride?
The molecular weight of 3-Methyladipoyl chloride is 196.01 g/mol.
Where can I buy 3-Methyladipoyl chloride?
You can request a quote for 3-Methyladipoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyladipoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyladipoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.