A3549/0150437
TL;DR: A3549/0150437 (CAS 695219-26-2) is a chemical compound with molecular formula C19H20N6O6S and molecular weight 460.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[4-(6-nitro-2-oxo-1,3-dihydrobenzimidazol-5-yl)piperazin-1-yl]sulfonylphenyl]acetamide
Also Known As: A3549/0150437, N-(4-((4-(6-nitro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)piperazin-1-yl)sulfonyl)phenyl)acetamide, N-(4-{[4-(6-NITRO-2-OXO-2,3-DIHYDRO-1H-1,3-BENZODIAZOL-5-YL)PIPERAZIN-1-YL]SULFONYL}PHENYL)ACETAMIDE, N-(4-{[4-(6-nitro-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-1-piperazinyl]sulfonyl}phenyl)acetamide, N-(4-{[4-(6-nitro-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)piperazin-1-yl]sulfonyl}phenyl)acetamide
| Molecular Formula | C19H20N6O6S |
|---|---|
| Molecular Weight | 460.12 g/mol |
| LogP | 1.2337 |
| Topological Polar Surface Area | 161.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 460.11652 |
| Heavy Atoms | 32 |
| Complexity | 1353.2012 |
Chemical Identifiers
| CAS Number | 695219-26-2 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C4C(=C3)NC(=O)N4)[N+](=O)[O-] |
Product Overview
A3549/0150437 (CAS 695219-26-2), with molecular formula C19H20N6O6S and molecular weight 460.12 g/mol. IUPAC: N-[4-[4-(6-nitro-2-oxo-1,3-dihydrobenzimidazol-5-yl)piperazin-1-yl]sulfonylphenyl]acetamide.
Chemical Property Profile of A3549/0150437
Property Insights of A3549/0150437
The XLogP value of 1.2337 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3549/0150437. The TPSA of 161.51 Ų indicates high polarity, suggesting A3549/0150437 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A3549/0150437 has 3 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 A3549/0150437?
The CAS number of A3549/0150437 is 695219-26-2.
What is the molecular formula of A3549/0150437?
The molecular formula of A3549/0150437 is C19H20N6O6S.
What is the molecular weight of A3549/0150437?
The molecular weight of A3549/0150437 is 460.12 g/mol.
Where can I buy A3549/0150437?
You can request a quote for A3549/0150437 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3549/0150437?
Yes, KEHONG BIO provides custom synthesis services for A3549/0150437 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.