ChemDiv3_006720
TL;DR: ChemDiv3_006720 (CAS 801227-87-2) is a chemical compound with molecular formula C18H19N3O4S2 and molecular weight 405.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-5-ethylthiophen-3-yl]-morpholin-4-ylmethanone
Also Known As: ChemDiv3_006720, CBKinase1_009095, CBKinase1_021495, BAS 09692346, IDI1_024630
| Molecular Formula | C18H19N3O4S2 |
|---|---|
| Molecular Weight | 405.08 g/mol |
| LogP | 2.3439 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.0817 |
| Heavy Atoms | 27 |
| Complexity | 1020.9778 |
Chemical Identifiers
| CAS Number | 801227-87-2 |
|---|---|
| SMILES | CCC1=CC(=C(S1)NC2=NS(=O)(=O)C3=CC=CC=C32)C(=O)N4CCOCC4 |
Product Overview
ChemDiv3_006720 (CAS 801227-87-2), with molecular formula C18H19N3O4S2 and molecular weight 405.08 g/mol. IUPAC: [2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-5-ethylthiophen-3-yl]-morpholin-4-ylmethanone.
Chemical Property Profile of ChemDiv3_006720
Property Insights of ChemDiv3_006720
The XLogP value of 2.3439 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_006720. The TPSA of 88.07 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_006720. Following Lipinski's Rule of Five, ChemDiv3_006720 has 1 hydrogen bond donor(s) and 6 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_006720?
The CAS number of ChemDiv3_006720 is 801227-87-2.
What is the molecular formula of ChemDiv3_006720?
The molecular formula of ChemDiv3_006720 is C18H19N3O4S2.
What is the molecular weight of ChemDiv3_006720?
The molecular weight of ChemDiv3_006720 is 405.08 g/mol.
Where can I buy ChemDiv3_006720?
You can request a quote for ChemDiv3_006720 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_006720?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_006720 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.