BAS 05310959
TL;DR: BAS 05310959 (CAS 528576-59-2) is a chemical compound with molecular formula C16H21Cl2N3O5S and molecular weight 437.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-(2,5-dichloro-N-methylsulfonylanilino)acetyl]piperazine-1-carboxylate
Also Known As: BAS 05310959, AB00307302-02, ethyl 4-(2-(N-(2,5-dichlorophenyl)methylsulfonamido)acetyl)piperazine-1-carboxylate, ethyl 4-[2-(2,5-dichloro-N-methylsulfonylanilino)acetyl]piperazine-1-carboxylate, ethyl 4-[N-(2,5-dichlorophenyl)-N-(methylsulfonyl)glycyl]piperazine-1-carboxylate
| Molecular Formula | C16H21Cl2N3O5S |
|---|---|
| Molecular Weight | 437.06 g/mol |
| LogP | 2.0601 |
| Topological Polar Surface Area | 87.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.0579 |
| Heavy Atoms | 27 |
| Complexity | 810.2738 |
Chemical Identifiers
| CAS Number | 528576-59-2 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)CN(C2=C(C=CC(=C2)Cl)Cl)S(=O)(=O)C |
Product Overview
BAS 05310959 (CAS 528576-59-2), with molecular formula C16H21Cl2N3O5S and molecular weight 437.06 g/mol. IUPAC: ethyl 4-[2-(2,5-dichloro-N-methylsulfonylanilino)acetyl]piperazine-1-carboxylate.
Chemical Property Profile of BAS 05310959
Property Insights of BAS 05310959
The XLogP value of 2.0601 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05310959. The TPSA of 87.23 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05310959. Following Lipinski's Rule of Five, BAS 05310959 has 0 hydrogen bond donor(s) and 5 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 05310959?
The CAS number of BAS 05310959 is 528576-59-2.
What is the molecular formula of BAS 05310959?
The molecular formula of BAS 05310959 is C16H21Cl2N3O5S.
What is the molecular weight of BAS 05310959?
The molecular weight of BAS 05310959 is 437.06 g/mol.
Where can I buy BAS 05310959?
You can request a quote for BAS 05310959 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05310959?
Yes, KEHONG BIO provides custom synthesis services for BAS 05310959 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.