3,8-Diazabicyclo(3.2.1)octane, 3-(2-chloroethyl)-8-propionyl-
TL;DR: 3,8-Diazabicyclo(3.2.1)octane, 3-(2-chloroethyl)-8-propionyl- (CAS 63977-85-5) is a chemical compound with molecular formula C11H19ClN2O and molecular weight 230.11859 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-(2-chloroethyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one
Also Known As: 5-23-03-00465 (Beilstein Handbook Reference), 3-(2-Chloroethyl)-8-propionyl-3,8-diazabicyclo(3.2.1)octane, 3,8-DIAZABICYCLO(3.2.1)OCTANE, 3-(2-CHLOROETHYL)-8-PROPIONYL-, 1-[3-(2-chloroethyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one, 3-(2-Chloroethyl)-8-propionyl-3,8-diazabicyclo[3.2.1]octane
Technical Specifications
| Molecular Formula | C11H19ClN2O |
| Molecular Weight | 230.11859 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.11859 Da |
| Heavy Atoms | 15 |
| Complexity | 233.0 |
| SMILES | CCC(=O)N1C2CCC1CN(C2)CCCl |
| InChIKey | PWDDDZZOGAIYGD-UHFFFAOYSA-N |
Chemical Property Profile of 3,8-Diazabicyclo(3.2.1)octane, 3-(2-chloroethyl)-8-propionyl-
Property Insights of 3,8-Diazabicyclo(3.2.1)octane, 3-(2-chloroethyl)-8-propionyl-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,8-Diazabicyclo(3.2.1)octane, 3-(2-chloroethyl)-8-propionyl-. With a topological polar surface area (TPSA) of 23.6 Ų, 3,8-Diazabicyclo(3.2.1)octane, 3-(2-chloroethyl)-8-propionyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,8-Diazabicyclo(3.2.1)octane, 3-(2-chloroethyl)-8-propionyl- 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
What is the CAS number of 3,8-Diazabicyclo(3.2.1)octane, 3-(2-chloroethyl)-8-propionyl-?
The CAS number of 3,8-Diazabicyclo(3.2.1)octane, 3-(2-chloroethyl)-8-propionyl- is 63977-85-5.
What is the molecular formula of 3,8-Diazabicyclo(3.2.1)octane, 3-(2-chloroethyl)-8-propionyl-?
The molecular formula of 3,8-Diazabicyclo(3.2.1)octane, 3-(2-chloroethyl)-8-propionyl- is C11H19ClN2O.
What is the molecular weight of 3,8-Diazabicyclo(3.2.1)octane, 3-(2-chloroethyl)-8-propionyl-?
The molecular weight of 3,8-Diazabicyclo(3.2.1)octane, 3-(2-chloroethyl)-8-propionyl- is 230.11859 g/mol.
Where can I buy 3,8-Diazabicyclo(3.2.1)octane, 3-(2-chloroethyl)-8-propionyl-?
You can request a quote for 3,8-Diazabicyclo(3.2.1)octane, 3-(2-chloroethyl)-8-propionyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,8-Diazabicyclo(3.2.1)octane, 3-(2-chloroethyl)-8-propionyl-?
Yes, CoreyChem provides custom synthesis services for 3,8-Diazabicyclo(3.2.1)octane, 3-(2-chloroethyl)-8-propionyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.