ChemDiv3_000223
TL;DR: ChemDiv3_000223 (CAS 309935-97-5) is a chemical compound with molecular formula C13H22N2O5S2 and molecular weight 350.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(methylsulfonylmethylsulfonyl)-1-azabicyclo[2.2.2]oct-2-en-3-yl]morpholine
Also Known As: ChemDiv3_000223, BAS 03662557, IDI1_019541, BRD-K19442443-001-01-1, 2-{[(methylsulfonyl)methyl]sulfonyl}-3-(morpholin-4-yl)-1-azabicyclo[2.2.2]oct-2-ene
| Molecular Formula | C13H22N2O5S2 |
|---|---|
| Molecular Weight | 350.10 g/mol |
| LogP | -0.3698 |
| Topological Polar Surface Area | 83.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.09702 |
| Heavy Atoms | 22 |
| Complexity | 669.219 |
Chemical Identifiers
| CAS Number | 309935-97-5 |
|---|---|
| SMILES | CS(=O)(=O)CS(=O)(=O)C1=C(C2CCN1CC2)N3CCOCC3 |
Product Overview
ChemDiv3_000223 (CAS 309935-97-5), with molecular formula C13H22N2O5S2 and molecular weight 350.10 g/mol. IUPAC: 4-[2-(methylsulfonylmethylsulfonyl)-1-azabicyclo[2.2.2]oct-2-en-3-yl]morpholine.
Chemical Property Profile of ChemDiv3_000223
Property Insights of ChemDiv3_000223
The XLogP value of -0.3698 indicates that ChemDiv3_000223 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.99 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_000223. Following Lipinski's Rule of Five, ChemDiv3_000223 has 0 hydrogen bond donor(s) and 7 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 ChemDiv3_000223?
The CAS number of ChemDiv3_000223 is 309935-97-5.
What is the molecular formula of ChemDiv3_000223?
The molecular formula of ChemDiv3_000223 is C13H22N2O5S2.
What is the molecular weight of ChemDiv3_000223?
The molecular weight of ChemDiv3_000223 is 350.10 g/mol.
Where can I buy ChemDiv3_000223?
You can request a quote for ChemDiv3_000223 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_000223?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_000223 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.