BAS 02052507
TL;DR: BAS 02052507 (CAS 347353-81-5) is a chemical compound with molecular formula C21H28N4O4S and molecular weight 432.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-[(4-propan-2-ylphenyl)methyl]aniline
Also Known As: BAS 02052507, BIM-0047032.P001, A2472/0104985, 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-[(4-propan-2-ylphenyl)methyl]aniline, 4-[3-({[4-(methylethyl)phenyl]methyl}amino)-4-nitrophenyl]-1-(methylsulfonyl)p iperazine
| Molecular Formula | C21H28N4O4S |
|---|---|
| Molecular Weight | 432.18 g/mol |
| LogP | 3.4119 |
| Topological Polar Surface Area | 95.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 432.18314 |
| Heavy Atoms | 30 |
| Complexity | 998.1665 |
Chemical Identifiers
| CAS Number | 347353-81-5 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)CNC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C)[N+](=O)[O-] |
Product Overview
BAS 02052507 (CAS 347353-81-5), with molecular formula C21H28N4O4S and molecular weight 432.18 g/mol. IUPAC: 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-[(4-propan-2-ylphenyl)methyl]aniline.
Chemical Property Profile of BAS 02052507
Property Insights of BAS 02052507
The XLogP value of 3.4119 indicates that BAS 02052507 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.79 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02052507. Following Lipinski's Rule of Five, BAS 02052507 has 1 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 02052507?
The CAS number of BAS 02052507 is 347353-81-5.
What is the molecular formula of BAS 02052507?
The molecular formula of BAS 02052507 is C21H28N4O4S.
What is the molecular weight of BAS 02052507?
The molecular weight of BAS 02052507 is 432.18 g/mol.
Where can I buy BAS 02052507?
You can request a quote for BAS 02052507 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02052507?
Yes, KEHONG BIO provides custom synthesis services for BAS 02052507 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.