D 58SI
TL;DR: D 58SI (CAS 27016-91-7) is a chemical compound with molecular formula C17H14N4O4 and molecular weight 338.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-7-nitro-2-oxo-5-phenyl-3H-1,4-benzodiazepine-1-carboxamide
Also Known As: D-58si, 2,3-Dihydro-N-methyl-7-nitro-2-oxo-5-phenyl-1H-1,4-benzodiazepine-1-carboxamide, 5-24-04-00346 (Beilstein Handbook Reference), J1.583.400E, 1H-1,4-Benzodiazepine-1-carboxamide, 2,3-dihydro-N-methyl-7-nitro-2-oxo-5-phenyl-
| Molecular Formula | C17H14N4O4 |
|---|---|
| Molecular Weight | 338.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 338.1015 |
| Heavy Atoms | 25 |
| Complexity | 580.0 |
Chemical Identifiers
| CAS Number | 27016-91-7 |
|---|---|
| SMILES | CNC(=O)N1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3 |
| InChIKey | PDLWQTVMGHECQL-UHFFFAOYSA-N |
Product Overview
D 58SI (CAS 27016-91-7), with molecular formula C17H14N4O4 and molecular weight 338.10 g/mol. IUPAC: N-methyl-7-nitro-2-oxo-5-phenyl-3H-1,4-benzodiazepine-1-carboxamide.
Chemical Property Profile of D 58SI
Property Insights of D 58SI
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for D 58SI. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for D 58SI. Following Lipinski's Rule of Five, D 58SI has 1 hydrogen bond donor(s) and 5 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 D 58SI?
The CAS number of D 58SI is 27016-91-7.
What is the molecular formula of D 58SI?
The molecular formula of D 58SI is C17H14N4O4.
What is the molecular weight of D 58SI?
The molecular weight of D 58SI is 338.10 g/mol.
Where can I buy D 58SI?
You can request a quote for D 58SI directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D 58SI?
Yes, KEHONG BIO provides custom synthesis services for D 58SI and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.