IFLab1_005689
TL;DR: IFLab1_005689 (CAS 1005273-55-1) is a chemical compound with molecular formula C16H27NO4S and molecular weight 329.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2,6-dimethylmorpholin-4-yl)sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
Also Known As: IFLab1_005689, IDI1_011092, 1-{[(2,6-dimethylmorpholin-4-yl)sulfonyl]methyl}-7,7-dimethylbicyclo[2.2.1]heptan-2-one, A3829/0162648, 1-{[(2,6-dimethylmorpholin-4-yl)sulfonyl]methyl}-7,7-dimethylbicyclo[2.2.1]hep tan-2-one
| Molecular Formula | C16H27NO4S |
|---|---|
| Molecular Weight | 329.17 g/mol |
| LogP | 1.8208 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.16608 |
| Heavy Atoms | 22 |
| Complexity | 574.95325 |
Chemical Identifiers
| CAS Number | 1005273-55-1 |
|---|---|
| SMILES | CC1CN(CC(O1)C)S(=O)(=O)CC23CCC(C2(C)C)CC3=O |
Product Overview
IFLab1_005689 (CAS 1005273-55-1), with molecular formula C16H27NO4S and molecular weight 329.17 g/mol. IUPAC: 1-[(2,6-dimethylmorpholin-4-yl)sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one.
Chemical Property Profile of IFLab1_005689
Property Insights of IFLab1_005689
The XLogP value of 1.8208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_005689. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_005689. Following Lipinski's Rule of Five, IFLab1_005689 has 0 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 IFLab1_005689?
The CAS number of IFLab1_005689 is 1005273-55-1.
What is the molecular formula of IFLab1_005689?
The molecular formula of IFLab1_005689 is C16H27NO4S.
What is the molecular weight of IFLab1_005689?
The molecular weight of IFLab1_005689 is 329.17 g/mol.
Where can I buy IFLab1_005689?
You can request a quote for IFLab1_005689 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005689?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005689 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.