2(5H)-Furanone, 3-chloro-5-((hexahydro-1H-azepin-1-yl)methyl)-4,5-dimethyl-
TL;DR: 2(5H)-Furanone, 3-chloro-5-((hexahydro-1H-azepin-1-yl)methyl)-4,5-dimethyl- (CAS 104502-45-6) is a chemical compound with molecular formula C13H20ClNO2 and molecular weight 257.11826 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(azepan-1-ylmethyl)-3-chloro-4,5-dimethylfuran-2-one
Also Known As: 3-Chloro-5-((hexahydro-1H-azepin-1-yl)methyl)-4,5-dimethyl-2(5H)-furanone, 5-(azepan-1-ylmethyl)-3-chloro-4,5-dimethylfuran-2-one, 2(5H)-FURANONE, 3-CHLORO-5-((HEXAHYDRO-1H-AZEPIN-1-YL)METHYL)-4,5-DIMETHYL-, 5-(azepan-1-ylmethyl)-3-chloro-4,5-dimethylfuran-2(5h)-one, 5-[(Azepan-1-yl)methyl]-3-chloro-4,5-dimethylfuran-2(5H)-one
Technical Specifications
| Molecular Formula | C13H20ClNO2 |
| Molecular Weight | 257.11826 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.11826 Da |
| Heavy Atoms | 17 |
| Complexity | 345.0 |
| SMILES | CC1=C(C(=O)OC1(C)CN2CCCCCC2)Cl |
| InChIKey | XGGSEAYTGROACB-UHFFFAOYSA-N |
Chemical Property Profile of 2(5H)-Furanone, 3-chloro-5-((hexahydro-1H-azepin-1-yl)methyl)-4,5-dimethyl-
Property Insights of 2(5H)-Furanone, 3-chloro-5-((hexahydro-1H-azepin-1-yl)methyl)-4,5-dimethyl-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(5H)-Furanone, 3-chloro-5-((hexahydro-1H-azepin-1-yl)methyl)-4,5-dimethyl-. With a topological polar surface area (TPSA) of 29.5 Ų, 2(5H)-Furanone, 3-chloro-5-((hexahydro-1H-azepin-1-yl)methyl)-4,5-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(5H)-Furanone, 3-chloro-5-((hexahydro-1H-azepin-1-yl)methyl)-4,5-dimethyl- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2(5H)-Furanone, 3-chloro-5-((hexahydro-1H-azepin-1-yl)methyl)-4,5-dimethyl-?
The CAS number of 2(5H)-Furanone, 3-chloro-5-((hexahydro-1H-azepin-1-yl)methyl)-4,5-dimethyl- is 104502-45-6.
What is the molecular formula of 2(5H)-Furanone, 3-chloro-5-((hexahydro-1H-azepin-1-yl)methyl)-4,5-dimethyl-?
The molecular formula of 2(5H)-Furanone, 3-chloro-5-((hexahydro-1H-azepin-1-yl)methyl)-4,5-dimethyl- is C13H20ClNO2.
What is the molecular weight of 2(5H)-Furanone, 3-chloro-5-((hexahydro-1H-azepin-1-yl)methyl)-4,5-dimethyl-?
The molecular weight of 2(5H)-Furanone, 3-chloro-5-((hexahydro-1H-azepin-1-yl)methyl)-4,5-dimethyl- is 257.11826 g/mol.
Where can I buy 2(5H)-Furanone, 3-chloro-5-((hexahydro-1H-azepin-1-yl)methyl)-4,5-dimethyl-?
You can request a quote for 2(5H)-Furanone, 3-chloro-5-((hexahydro-1H-azepin-1-yl)methyl)-4,5-dimethyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2(5H)-Furanone, 3-chloro-5-((hexahydro-1H-azepin-1-yl)methyl)-4,5-dimethyl-?
Yes, CoreyChem provides custom synthesis services for 2(5H)-Furanone, 3-chloro-5-((hexahydro-1H-azepin-1-yl)methyl)-4,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.