5-25-02-00183 (Beilstein Handbook Reference)
TL;DR: 5-25-02-00183 (Beilstein Handbook Reference) (CAS 62658-10-0) is a chemical compound with molecular formula C17H14N4O7 and molecular weight 386.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,7-dinitro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-5-yl) acetate
Also Known As: 5-25-02-00183 (Beilstein Handbook Reference), 5-Acetoxy-4,7-dinitro-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one, 2H-1,4-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-5-(acetyloxy)-4,7-dinitro-5-phenyl-, 1,3,4,5-Tetrahydro-5-(acetyloxy)-4,7-dinitro-5-phenyl-2H-1,4-benzodiazepin-2-one, (4,7-dinitro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-5-yl) acetate
| Molecular Formula | C17H14N4O7 |
|---|---|
| Molecular Weight | 386.09 g/mol |
| LogP | 1.8048 |
| Topological Polar Surface Area | 144.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.08624 |
| Heavy Atoms | 28 |
| Complexity | 978.72614 |
Chemical Identifiers
| CAS Number | 62658-10-0 |
|---|---|
| SMILES | CC(=O)OC1(C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)CN1[N+](=O)[O-])C3=CC=CC=C3 |
Product Overview
5-25-02-00183 (Beilstein Handbook Reference) (CAS 62658-10-0), with molecular formula C17H14N4O7 and molecular weight 386.09 g/mol. IUPAC: (4,7-dinitro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-5-yl) acetate.
Chemical Property Profile of 5-25-02-00183 (Beilstein Handbook Reference)
Property Insights of 5-25-02-00183 (Beilstein Handbook Reference)
The XLogP value of 1.8048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-25-02-00183 (Beilstein Handbook Reference). The TPSA of 144.92 Ų indicates high polarity, suggesting 5-25-02-00183 (Beilstein Handbook Reference) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-25-02-00183 (Beilstein Handbook Reference) 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 5-25-02-00183 (Beilstein Handbook Reference)?
The CAS number of 5-25-02-00183 (Beilstein Handbook Reference) is 62658-10-0.
What is the molecular formula of 5-25-02-00183 (Beilstein Handbook Reference)?
The molecular formula of 5-25-02-00183 (Beilstein Handbook Reference) is C17H14N4O7.
What is the molecular weight of 5-25-02-00183 (Beilstein Handbook Reference)?
The molecular weight of 5-25-02-00183 (Beilstein Handbook Reference) is 386.09 g/mol.
Where can I buy 5-25-02-00183 (Beilstein Handbook Reference)?
You can request a quote for 5-25-02-00183 (Beilstein Handbook Reference) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-25-02-00183 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 5-25-02-00183 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.