AB00681376-01
TL;DR: AB00681376-01 (CAS 899954-30-4) is a chemical compound with molecular formula C17H13N3O4S2 and molecular weight 387.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methyl-1,3-benzothiazol-2-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Also Known As: AB00681376-01, F2748-0214, N-(4-methyl-1,3-benzothiazol-2-yl)-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamide, 2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(4-methylbenzo[d]thiazol-2-yl)acetamide, N-(4-methyl-1,3-benzothiazol-2-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
| Molecular Formula | C17H13N3O4S2 |
|---|---|
| Molecular Weight | 387.03 g/mol |
| LogP | 2.38792 |
| Topological Polar Surface Area | 96.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.03476 |
| Heavy Atoms | 26 |
| Complexity | 1167.7196 |
Chemical Identifiers
| CAS Number | 899954-30-4 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)SC(=N2)NC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O |
Product Overview
AB00681376-01 (CAS 899954-30-4), with molecular formula C17H13N3O4S2 and molecular weight 387.03 g/mol. IUPAC: N-(4-methyl-1,3-benzothiazol-2-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
Chemical Property Profile of AB00681376-01
Property Insights of AB00681376-01
The XLogP value of 2.38792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00681376-01. The TPSA of 96.44 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00681376-01. Following Lipinski's Rule of Five, AB00681376-01 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 AB00681376-01?
The CAS number of AB00681376-01 is 899954-30-4.
What is the molecular formula of AB00681376-01?
The molecular formula of AB00681376-01 is C17H13N3O4S2.
What is the molecular weight of AB00681376-01?
The molecular weight of AB00681376-01 is 387.03 g/mol.
Where can I buy AB00681376-01?
You can request a quote for AB00681376-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00681376-01?
Yes, KEHONG BIO provides custom synthesis services for AB00681376-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.