BAS 02859712
TL;DR: BAS 02859712 (CAS 333425-24-4) is a chemical compound with molecular formula C21H23ClN4O6S and molecular weight 494.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chlorophenyl)-[4-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)piperazin-1-yl]methanone
Also Known As: BAS 02859712, A2391/0101206, (2-chlorophenyl)-[4-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)piperazin-1-yl]methanone, (2-chlorophenyl)(4-(2-(morpholinosulfonyl)-4-nitrophenyl)piperazin-1-yl)methanone, (2-chlorophenyl){4-[2-(morpholin-4-ylsulfonyl)-4-nitrophenyl]piperazin-1-yl}methanone
| Molecular Formula | C21H23ClN4O6S |
|---|---|
| Molecular Weight | 494.10 g/mol |
| LogP | 2.2315 |
| Topological Polar Surface Area | 113.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 494.1027 |
| Heavy Atoms | 33 |
| Complexity | 1161.0948 |
Chemical Identifiers
| CAS Number | 333425-24-4 |
|---|---|
| SMILES | C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3)C(=O)C4=CC=CC=C4Cl |
Product Overview
BAS 02859712 (CAS 333425-24-4), with molecular formula C21H23ClN4O6S and molecular weight 494.10 g/mol. IUPAC: (2-chlorophenyl)-[4-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)piperazin-1-yl]methanone.
Chemical Property Profile of BAS 02859712
Property Insights of BAS 02859712
The XLogP value of 2.2315 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02859712. The TPSA of 113.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02859712. Following Lipinski's Rule of Five, BAS 02859712 has 0 hydrogen bond donor(s) and 7 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 02859712?
The CAS number of BAS 02859712 is 333425-24-4.
What is the molecular formula of BAS 02859712?
The molecular formula of BAS 02859712 is C21H23ClN4O6S.
What is the molecular weight of BAS 02859712?
The molecular weight of BAS 02859712 is 494.10 g/mol.
Where can I buy BAS 02859712?
You can request a quote for BAS 02859712 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02859712?
Yes, KEHONG BIO provides custom synthesis services for BAS 02859712 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.