3-(p-Chlorobenzoyl)-8-methyl-3,8-diazabicyclo(3.2.1)octane
TL;DR: 3-(p-Chlorobenzoyl)-8-methyl-3,8-diazabicyclo(3.2.1)octane (CAS 57269-18-8) is a chemical compound with molecular formula C14H17ClN2O and molecular weight 264.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methanone
Also Known As: Cefamandole formate, 3-(p-Chlorobenzoyl)-8-methyl-3,8-diazabicyclo(3.2.1)octane, 5-23-03-00462 (Beilstein Handbook Reference), 3- -8-methyl-3,8-diazabicyclo[3.2.1]octane, (4-chlorophenyl)-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methanone
| Molecular Formula | C14H17ClN2O |
|---|---|
| Molecular Weight | 264.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 264.10294 |
| Heavy Atoms | 18 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 57269-18-8 |
|---|---|
| SMILES | CN1C2CCC1CN(C2)C(=O)C3=CC=C(C=C3)Cl |
| InChIKey | IKHUSJCGKQISRF-UHFFFAOYSA-N |
Product Overview
3-(p-Chlorobenzoyl)-8-methyl-3,8-diazabicyclo(3.2.1)octane (CAS 57269-18-8), with molecular formula C14H17ClN2O and molecular weight 264.10 g/mol. IUPAC: (4-chlorophenyl)-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methanone.
Chemical Property Profile of 3-(p-Chlorobenzoyl)-8-methyl-3,8-diazabicyclo(3.2.1)octane
Property Insights of 3-(p-Chlorobenzoyl)-8-methyl-3,8-diazabicyclo(3.2.1)octane
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(p-Chlorobenzoyl)-8-methyl-3,8-diazabicyclo(3.2.1)octane. With a topological polar surface area (TPSA) of 23.6 Ų, 3-(p-Chlorobenzoyl)-8-methyl-3,8-diazabicyclo(3.2.1)octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(p-Chlorobenzoyl)-8-methyl-3,8-diazabicyclo(3.2.1)octane 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-(p-Chlorobenzoyl)-8-methyl-3,8-diazabicyclo(3.2.1)octane?
The CAS number of 3-(p-Chlorobenzoyl)-8-methyl-3,8-diazabicyclo(3.2.1)octane is 57269-18-8.
What is the molecular formula of 3-(p-Chlorobenzoyl)-8-methyl-3,8-diazabicyclo(3.2.1)octane?
The molecular formula of 3-(p-Chlorobenzoyl)-8-methyl-3,8-diazabicyclo(3.2.1)octane is C14H17ClN2O.
What is the molecular weight of 3-(p-Chlorobenzoyl)-8-methyl-3,8-diazabicyclo(3.2.1)octane?
The molecular weight of 3-(p-Chlorobenzoyl)-8-methyl-3,8-diazabicyclo(3.2.1)octane is 264.10 g/mol.
Where can I buy 3-(p-Chlorobenzoyl)-8-methyl-3,8-diazabicyclo(3.2.1)octane?
You can request a quote for 3-(p-Chlorobenzoyl)-8-methyl-3,8-diazabicyclo(3.2.1)octane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(p-Chlorobenzoyl)-8-methyl-3,8-diazabicyclo(3.2.1)octane?
Yes, KEHONG BIO provides custom synthesis services for 3-(p-Chlorobenzoyl)-8-methyl-3,8-diazabicyclo(3.2.1)octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.