ChemDiv3_008842
TL;DR: ChemDiv3_008842 (CAS 901035-25-4) is a chemical compound with molecular formula C16H22N4O5S2 and molecular weight 414.10 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-(2,2-dimethoxyethyl)piperidine-4-carboxamide
Also Known As: ChemDiv3_008842, IDI1_026752, BRD-K77818847-001-01-3, 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2,2-dimethoxyethyl)piperidine-4-carboxamide, 1-(benzo[c][1,2,5]thiadiazol-4-ylsulfonyl)-N-(2,2-dimethoxyethyl)piperidine-4-carboxamide
| Molecular Formula | C16H22N4O5S2 |
|---|---|
| Molecular Weight | 414.10 g/mol |
| LogP | 0.8271 |
| Topological Polar Surface Area | 110.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 414.10315 |
| Heavy Atoms | 27 |
| Complexity | 889.1026 |
Chemical Identifiers
| CAS Number | 901035-25-4 |
|---|---|
| SMILES | COC(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC3=NSN=C32)OC |
Product Overview
ChemDiv3_008842 (CAS 901035-25-4), with molecular formula C16H22N4O5S2 and molecular weight 414.10 g/mol. IUPAC: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2,2-dimethoxyethyl)piperidine-4-carboxamide.
Chemical Property Profile of ChemDiv3_008842
Property Insights of ChemDiv3_008842
The XLogP value of 0.8271 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_008842. The TPSA of 110.72 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_008842. Following Lipinski's Rule of Five, ChemDiv3_008842 has 1 hydrogen bond donor(s) and 8 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_008842?
The CAS number of ChemDiv3_008842 is 901035-25-4.
What is the molecular formula of ChemDiv3_008842?
The molecular formula of ChemDiv3_008842 is C16H22N4O5S2.
What is the molecular weight of ChemDiv3_008842?
The molecular weight of ChemDiv3_008842 is 414.10 g/mol.
Where can I buy ChemDiv3_008842?
You can request a quote for ChemDiv3_008842 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_008842?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_008842 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.