A2287/0096304
TL;DR: A2287/0096304 (CAS 309741-39-7) is a chemical compound with molecular formula C22H25N5O3S and molecular weight 439.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
Also Known As: A2287/0096304, N-mesityl-2-(4-(6-nitrobenzo[d]thiazol-2-yl)piperazin-1-yl)acetamide, 2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide, N-MESITYL-2-[4-(6-NITRO-1,3-BENZOTHIAZOL-2-YL)-1-PIPERAZINYL]ACETAMIDE
| Molecular Formula | C22H25N5O3S |
|---|---|
| Molecular Weight | 439.17 g/mol |
| LogP | 3.89046 |
| Topological Polar Surface Area | 91.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 439.16782 |
| Heavy Atoms | 31 |
| Complexity | 1128.249 |
Chemical Identifiers
| CAS Number | 309741-39-7 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)NC(=O)CN2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C |
Product Overview
A2287/0096304 (CAS 309741-39-7), with molecular formula C22H25N5O3S and molecular weight 439.17 g/mol. IUPAC: 2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide.
Chemical Property Profile of A2287/0096304
Property Insights of A2287/0096304
The XLogP value of 3.89046 indicates that A2287/0096304 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.61 Ų falls within the moderate polarity range, balancing permeability and solubility for A2287/0096304. Following Lipinski's Rule of Five, A2287/0096304 has 1 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 A2287/0096304?
The CAS number of A2287/0096304 is 309741-39-7.
What is the molecular formula of A2287/0096304?
The molecular formula of A2287/0096304 is C22H25N5O3S.
What is the molecular weight of A2287/0096304?
The molecular weight of A2287/0096304 is 439.17 g/mol.
Where can I buy A2287/0096304?
You can request a quote for A2287/0096304 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2287/0096304?
Yes, KEHONG BIO provides custom synthesis services for A2287/0096304 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.