ChemDiv2_005394
TL;DR: ChemDiv2_005394 (CAS 685837-39-2) is a chemical compound with molecular formula C17H22N4O4S2 and molecular weight 410.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methylpiperidin-1-yl)sulfonyl-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
Also Known As: ChemDiv2_005394, IDI1_004109, AB00833601-06, F0593-0122, 4-[(2-methylpiperidin-1-yl)sulfonyl]-N-{5-[(methylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}benzamide
| Molecular Formula | C17H22N4O4S2 |
|---|---|
| Molecular Weight | 410.11 g/mol |
| LogP | 2.748 |
| Topological Polar Surface Area | 105.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.10825 |
| Heavy Atoms | 27 |
| Complexity | 895.9122 |
Chemical Identifiers
| CAS Number | 685837-39-2 |
|---|---|
| SMILES | CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)CSC |
Product Overview
ChemDiv2_005394 (CAS 685837-39-2), with molecular formula C17H22N4O4S2 and molecular weight 410.11 g/mol. IUPAC: 4-(2-methylpiperidin-1-yl)sulfonyl-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide.
Chemical Property Profile of ChemDiv2_005394
Property Insights of ChemDiv2_005394
The XLogP value of 2.748 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_005394. The TPSA of 105.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_005394. Following Lipinski's Rule of Five, ChemDiv2_005394 has 1 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 ChemDiv2_005394?
The CAS number of ChemDiv2_005394 is 685837-39-2.
What is the molecular formula of ChemDiv2_005394?
The molecular formula of ChemDiv2_005394 is C17H22N4O4S2.
What is the molecular weight of ChemDiv2_005394?
The molecular weight of ChemDiv2_005394 is 410.11 g/mol.
Where can I buy ChemDiv2_005394?
You can request a quote for ChemDiv2_005394 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_005394?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_005394 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.