5-24-04-00309 (Beilstein Handbook Reference)
TL;DR: 5-24-04-00309 (Beilstein Handbook Reference) (CAS 55194-65-5) is a chemical compound with molecular formula C23H18ClN3O4 and molecular weight 435.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-1-[2-(4-nitrophenoxy)ethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
Also Known As: 5-24-04-00309 (Beilstein Handbook Reference), 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(2-(p-nitrophenoxy)ethyl)-5-phenyl-, 1,3-Dihydro-7-chloro-1-(2-(p-nitrophenoxy)ethyl)-5-phenyl-2H-1,4-benzodiazepin-2-one, 7-chloro-1-[2-(4-nitrophenoxy)ethyl]-5-phenyl-1,3-dihydro-2h-1,4-benzodiazepin-2-one, 7-chloro-1-[2-(4-nitrophenoxy)ethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
| Molecular Formula | C23H18ClN3O4 |
|---|---|
| Molecular Weight | 435.10 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 435.09857 |
| Heavy Atoms | 31 |
| Complexity | 668.0 |
Chemical Identifiers
| CAS Number | 55194-65-5 |
|---|---|
| SMILES | C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CCOC4=CC=C(C=C4)[N+](=O)[O-] |
| InChIKey | ZVBHNQOUOJGGJD-UHFFFAOYSA-N |
Product Overview
5-24-04-00309 (Beilstein Handbook Reference) (CAS 55194-65-5), with molecular formula C23H18ClN3O4 and molecular weight 435.10 g/mol. IUPAC: 7-chloro-1-[2-(4-nitrophenoxy)ethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one.
Chemical Property Profile of 5-24-04-00309 (Beilstein Handbook Reference)
Property Insights of 5-24-04-00309 (Beilstein Handbook Reference)
The XLogP value of 4.3 indicates that 5-24-04-00309 (Beilstein Handbook Reference) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-24-04-00309 (Beilstein Handbook Reference). Following Lipinski's Rule of Five, 5-24-04-00309 (Beilstein Handbook Reference) has 0 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 5-24-04-00309 (Beilstein Handbook Reference)?
The CAS number of 5-24-04-00309 (Beilstein Handbook Reference) is 55194-65-5.
What is the molecular formula of 5-24-04-00309 (Beilstein Handbook Reference)?
The molecular formula of 5-24-04-00309 (Beilstein Handbook Reference) is C23H18ClN3O4.
What is the molecular weight of 5-24-04-00309 (Beilstein Handbook Reference)?
The molecular weight of 5-24-04-00309 (Beilstein Handbook Reference) is 435.10 g/mol.
Where can I buy 5-24-04-00309 (Beilstein Handbook Reference)?
You can request a quote for 5-24-04-00309 (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 5-24-04-00309 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 5-24-04-00309 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.