BAS 03449454
TL;DR: BAS 03449454 (CAS 4399-11-5) is a chemical compound with molecular formula C18H27N3O5S and molecular weight 397.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-(2,3-dimethyl-N-methylsulfonylanilino)acetyl]piperazine-1-carboxylate
Also Known As: BAS 03449454, AN-988/40889809, ethyl 4-[N-(2,3-dimethylphenyl)-N-(methylsulfonyl)glycyl]-1-piperazinecarboxylate, ethyl 4-[2-(2,3-dimethyl-N-methylsulfonylanilino)acetyl]piperazine-1-carboxylate, Ethyl 4-[N-(2,3-dimethylphenyl)-N-(methanesulfonyl)glycyl]piperazine-1-carboxylate
| Molecular Formula | C18H27N3O5S |
|---|---|
| Molecular Weight | 397.17 g/mol |
| LogP | 1.37014 |
| Topological Polar Surface Area | 87.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.16714 |
| Heavy Atoms | 27 |
| Complexity | 801.21515 |
Chemical Identifiers
| CAS Number | 4399-11-5 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)CN(C2=CC=CC(=C2C)C)S(=O)(=O)C |
Product Overview
BAS 03449454 (CAS 4399-11-5), with molecular formula C18H27N3O5S and molecular weight 397.17 g/mol. IUPAC: ethyl 4-[2-(2,3-dimethyl-N-methylsulfonylanilino)acetyl]piperazine-1-carboxylate.
Chemical Property Profile of BAS 03449454
Property Insights of BAS 03449454
The XLogP value of 1.37014 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03449454. The TPSA of 87.23 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03449454. Following Lipinski's Rule of Five, BAS 03449454 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 03449454?
The CAS number of BAS 03449454 is 4399-11-5.
What is the molecular formula of BAS 03449454?
The molecular formula of BAS 03449454 is C18H27N3O5S.
What is the molecular weight of BAS 03449454?
The molecular weight of BAS 03449454 is 397.17 g/mol.
Where can I buy BAS 03449454?
You can request a quote for BAS 03449454 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03449454?
Yes, KEHONG BIO provides custom synthesis services for BAS 03449454 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.