3-(Carboxyacetyl)-8-methyl-3,8-diazabicyclo(3.2.1)octane
TL;DR: 3-(Carboxyacetyl)-8-methyl-3,8-diazabicyclo(3.2.1)octane (CAS 57269-17-7) is a chemical compound with molecular formula C10H16N2O3 and molecular weight 212.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-3-oxopropanoic acid
Also Known As: Cefamandole formate, 3-(Carboxyacetyl)-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]octan-3-yl)-3-oxopropanoic acid, 3,8-DIAZABICYCLO(3.2.1)OCTANE, 3-(CARBOXYACETYL)-8-METHYL-
| Molecular Formula | C10H16N2O3 |
|---|---|
| Molecular Weight | 212.12 g/mol |
| LogP | -2.4 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.11609 |
| Heavy Atoms | 15 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 57269-17-7 |
|---|---|
| SMILES | CN1C2CCC1CN(C2)C(=O)CC(=O)O |
| InChIKey | DJILXZDYSGJWKM-UHFFFAOYSA-N |
Product Overview
3-(Carboxyacetyl)-8-methyl-3,8-diazabicyclo(3.2.1)octane (CAS 57269-17-7), with molecular formula C10H16N2O3 and molecular weight 212.12 g/mol. IUPAC: 3-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-3-oxopropanoic acid.
Chemical Property Profile of 3-(Carboxyacetyl)-8-methyl-3,8-diazabicyclo(3.2.1)octane
Property Insights of 3-(Carboxyacetyl)-8-methyl-3,8-diazabicyclo(3.2.1)octane
The XLogP value of -2.4 indicates that 3-(Carboxyacetyl)-8-methyl-3,8-diazabicyclo(3.2.1)octane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Carboxyacetyl)-8-methyl-3,8-diazabicyclo(3.2.1)octane. Following Lipinski's Rule of Five, 3-(Carboxyacetyl)-8-methyl-3,8-diazabicyclo(3.2.1)octane has 1 hydrogen bond donor(s) and 4 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-(Carboxyacetyl)-8-methyl-3,8-diazabicyclo(3.2.1)octane?
The CAS number of 3-(Carboxyacetyl)-8-methyl-3,8-diazabicyclo(3.2.1)octane is 57269-17-7.
What is the molecular formula of 3-(Carboxyacetyl)-8-methyl-3,8-diazabicyclo(3.2.1)octane?
The molecular formula of 3-(Carboxyacetyl)-8-methyl-3,8-diazabicyclo(3.2.1)octane is C10H16N2O3.
What is the molecular weight of 3-(Carboxyacetyl)-8-methyl-3,8-diazabicyclo(3.2.1)octane?
The molecular weight of 3-(Carboxyacetyl)-8-methyl-3,8-diazabicyclo(3.2.1)octane is 212.12 g/mol.
Where can I buy 3-(Carboxyacetyl)-8-methyl-3,8-diazabicyclo(3.2.1)octane?
You can request a quote for 3-(Carboxyacetyl)-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-(Carboxyacetyl)-8-methyl-3,8-diazabicyclo(3.2.1)octane?
Yes, KEHONG BIO provides custom synthesis services for 3-(Carboxyacetyl)-8-methyl-3,8-diazabicyclo(3.2.1)octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.