A3549/0150436
TL;DR: A3549/0150436 (CAS 695219-25-1) is a chemical compound with molecular formula C23H28N6O6S and molecular weight 516.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[4-(1,3-diethyl-6-nitro-2-oxobenzimidazol-5-yl)piperazin-1-yl]sulfonylphenyl]acetamide
Also Known As: A3549/0150436, N-[4-[4-(1,3-diethyl-6-nitro-2-oxobenzimidazol-5-yl)piperazin-1-yl]sulfonylphenyl]acetamide, N-(4-{[4-(1,3-DIETHYL-6-NITRO-2-OXO-2,3-DIHYDRO-1H-BENZIMIDAZOL-5-YL)-1-PIPERAZINYL]SULFONYL}PHENYL)ACETAMIDE, N-(4-{[4-(1,3-diethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)piperazin-1-yl]sulfonyl}phenyl)acetamide
| Molecular Formula | C23H28N6O6S |
|---|---|
| Molecular Weight | 516.18 g/mol |
| LogP | 2.2203 |
| Topological Polar Surface Area | 139.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 516.1791 |
| Heavy Atoms | 36 |
| Complexity | 1484.0046 |
Chemical Identifiers
| CAS Number | 695219-25-1 |
|---|---|
| SMILES | CCN1C2=CC(=C(C=C2N(C1=O)CC)[N+](=O)[O-])N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)NC(=O)C |
Product Overview
A3549/0150436 (CAS 695219-25-1), with molecular formula C23H28N6O6S and molecular weight 516.18 g/mol. IUPAC: N-[4-[4-(1,3-diethyl-6-nitro-2-oxobenzimidazol-5-yl)piperazin-1-yl]sulfonylphenyl]acetamide.
Chemical Property Profile of A3549/0150436
Property Insights of A3549/0150436
The XLogP value of 2.2203 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3549/0150436. The TPSA of 139.79 Ų falls within the moderate polarity range, balancing permeability and solubility for A3549/0150436. Following Lipinski's Rule of Five, A3549/0150436 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3549/0150436?
The CAS number of A3549/0150436 is 695219-25-1.
What is the molecular formula of A3549/0150436?
The molecular formula of A3549/0150436 is C23H28N6O6S.
What is the molecular weight of A3549/0150436?
The molecular weight of A3549/0150436 is 516.18 g/mol.
Where can I buy A3549/0150436?
You can request a quote for A3549/0150436 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3549/0150436?
Yes, KEHONG BIO provides custom synthesis services for A3549/0150436 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.