BAS 06739413
TL;DR: BAS 06739413 (CAS 445265-08-7) is a chemical compound with molecular formula C16H19N3O6S and molecular weight 381.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]piperazine-1-carboxylate
Also Known As: BAS 06739413, ethyl 4-(2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetyl)piperazine-1-carboxylate, ethyl 4-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]piperazine-1-carboxylate, AL-383/41206043, ethyl 4-[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]-1-piperazinecarboxylate
| Molecular Formula | C16H19N3O6S |
|---|---|
| Molecular Weight | 381.10 g/mol |
| LogP | 0.1318 |
| Topological Polar Surface Area | 104.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 381.09946 |
| Heavy Atoms | 26 |
| Complexity | 845.29596 |
Chemical Identifiers
| CAS Number | 445265-08-7 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O |
Product Overview
BAS 06739413 (CAS 445265-08-7), with molecular formula C16H19N3O6S and molecular weight 381.10 g/mol. IUPAC: ethyl 4-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]piperazine-1-carboxylate.
Chemical Property Profile of BAS 06739413
Property Insights of BAS 06739413
The XLogP value of 0.1318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 06739413. The TPSA of 104.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06739413. Following Lipinski's Rule of Five, BAS 06739413 has 0 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 BAS 06739413?
The CAS number of BAS 06739413 is 445265-08-7.
What is the molecular formula of BAS 06739413?
The molecular formula of BAS 06739413 is C16H19N3O6S.
What is the molecular weight of BAS 06739413?
The molecular weight of BAS 06739413 is 381.10 g/mol.
Where can I buy BAS 06739413?
You can request a quote for BAS 06739413 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06739413?
Yes, KEHONG BIO provides custom synthesis services for BAS 06739413 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.