1-(4-Nitrophenyl)sulfonyl-1,4-diazepan-5-one
TL;DR: 1-(4-Nitrophenyl)sulfonyl-1,4-diazepan-5-one (CAS 329905-99-9) is a chemical compound with molecular formula C11H13N3O5S and molecular weight 299.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrophenyl)sulfonyl-1,4-diazepan-5-one
Also Known As: 1-(4-nitrophenyl)sulfonyl-1,4-diazepan-5-one, 1-({4-nitrophenyl}sulfonyl)-1,4-diazepan-5-one, AF-399/32656036, 1-[(4-nitrophenyl)sulfonyl]-1,4-diazaperhydroepin-5-one
| Molecular Formula | C11H13N3O5S |
|---|---|
| Molecular Weight | 299.06 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.0576 |
| Heavy Atoms | 20 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 329905-99-9 |
|---|---|
| SMILES | C1CN(CCNC1=O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | KMJIFRSYOIESNK-UHFFFAOYSA-N |
Product Overview
1-(4-Nitrophenyl)sulfonyl-1,4-diazepan-5-one (CAS 329905-99-9), with molecular formula C11H13N3O5S and molecular weight 299.06 g/mol. IUPAC: 1-(4-nitrophenyl)sulfonyl-1,4-diazepan-5-one.
Chemical Property Profile of 1-(4-Nitrophenyl)sulfonyl-1,4-diazepan-5-one
Property Insights of 1-(4-Nitrophenyl)sulfonyl-1,4-diazepan-5-one
The XLogP value of -0.1 indicates that 1-(4-Nitrophenyl)sulfonyl-1,4-diazepan-5-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Nitrophenyl)sulfonyl-1,4-diazepan-5-one. Following Lipinski's Rule of Five, 1-(4-Nitrophenyl)sulfonyl-1,4-diazepan-5-one 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 1-(4-Nitrophenyl)sulfonyl-1,4-diazepan-5-one?
The CAS number of 1-(4-Nitrophenyl)sulfonyl-1,4-diazepan-5-one is 329905-99-9.
What is the molecular formula of 1-(4-Nitrophenyl)sulfonyl-1,4-diazepan-5-one?
The molecular formula of 1-(4-Nitrophenyl)sulfonyl-1,4-diazepan-5-one is C11H13N3O5S.
What is the molecular weight of 1-(4-Nitrophenyl)sulfonyl-1,4-diazepan-5-one?
The molecular weight of 1-(4-Nitrophenyl)sulfonyl-1,4-diazepan-5-one is 299.06 g/mol.
Where can I buy 1-(4-Nitrophenyl)sulfonyl-1,4-diazepan-5-one?
You can request a quote for 1-(4-Nitrophenyl)sulfonyl-1,4-diazepan-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Nitrophenyl)sulfonyl-1,4-diazepan-5-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Nitrophenyl)sulfonyl-1,4-diazepan-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.