ChemDiv2_006683
TL;DR: ChemDiv2_006683 (CAS 901883-02-1) is a chemical compound with molecular formula C18H19N5O3S2 and molecular weight 417.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
Also Known As: ChemDiv2_006683, IDI1_005398, 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide, 1-(benzo[c][1,2,5]thiadiazol-4-ylsulfonyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide, 1-(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)-N~3~-(3-PYRIDYLMETHYL)-3-PIPERIDINECARBOXAMIDE
| Molecular Formula | C18H19N5O3S2 |
|---|---|
| Molecular Weight | 417.09 g/mol |
| LogP | 1.8034 |
| Topological Polar Surface Area | 105.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.09293 |
| Heavy Atoms | 28 |
| Complexity | 1084.8088 |
Chemical Identifiers
| CAS Number | 901883-02-1 |
|---|---|
| SMILES | C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)NCC4=CN=CC=C4 |
Product Overview
ChemDiv2_006683 (CAS 901883-02-1), with molecular formula C18H19N5O3S2 and molecular weight 417.09 g/mol. IUPAC: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.
Chemical Property Profile of ChemDiv2_006683
Property Insights of ChemDiv2_006683
The XLogP value of 1.8034 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_006683. The TPSA of 105.15 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_006683. Following Lipinski's Rule of Five, ChemDiv2_006683 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_006683?
The CAS number of ChemDiv2_006683 is 901883-02-1.
What is the molecular formula of ChemDiv2_006683?
The molecular formula of ChemDiv2_006683 is C18H19N5O3S2.
What is the molecular weight of ChemDiv2_006683?
The molecular weight of ChemDiv2_006683 is 417.09 g/mol.
Where can I buy ChemDiv2_006683?
You can request a quote for ChemDiv2_006683 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_006683?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_006683 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.