BAS 06498503
TL;DR: BAS 06498503 (CAS 431980-99-3) 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-(2,3-dichloro-N-methylsulfonylanilino)acetyl]piperazine-1-carboxylate
Also Known As: BAS 06498503, ethyl 4-[N-(2,3-dichlorophenyl)-N-(methylsulfonyl)glycyl]piperazine-1-carboxylate, ethyl 4-(2-(N-(2,3-dichlorophenyl)methylsulfonamido)acetyl)piperazine-1-carboxylate, ethyl 4-[2-(2,3-dichloro-N-methylsulfonylanilino)acetyl]piperazine-1-carboxylate, ethyl 4-{2-[(2,3-dichlorophenyl)(methylsulfonyl)amino]acetyl}piperazinecarboxy late
| 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 | 431980-99-3 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)CN(C2=C(C(=CC=C2)Cl)Cl)S(=O)(=O)C |
Product Overview
BAS 06498503 (CAS 431980-99-3), with molecular formula C16H21Cl2N3O5S and molecular weight 437.06 g/mol. IUPAC: ethyl 4-[2-(2,3-dichloro-N-methylsulfonylanilino)acetyl]piperazine-1-carboxylate.
Chemical Property Profile of BAS 06498503
Property Insights of BAS 06498503
The XLogP value of 2.0601 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 06498503. The TPSA of 87.23 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06498503. Following Lipinski's Rule of Five, BAS 06498503 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 06498503?
The CAS number of BAS 06498503 is 431980-99-3.
What is the molecular formula of BAS 06498503?
The molecular formula of BAS 06498503 is C16H21Cl2N3O5S.
What is the molecular weight of BAS 06498503?
The molecular weight of BAS 06498503 is 437.06 g/mol.
Where can I buy BAS 06498503?
You can request a quote for BAS 06498503 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06498503?
Yes, KEHONG BIO provides custom synthesis services for BAS 06498503 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.