5-25-02-00182 (Beilstein Handbook Reference)
TL;DR: 5-25-02-00182 (Beilstein Handbook Reference) (CAS 62159-89-1) is a chemical compound with molecular formula C16H14ClN3O4 and molecular weight 347.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-5-methoxy-4-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
Also Known As: 5-25-02-00182 (Beilstein Handbook Reference), 1,3,4,5-Tetrahydro-7-chloro-5-methoxy-4-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one, 2H-1,4-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-7-chloro-5-methoxy-4-nitro-5-phenyl-, 7-Chloro-5-methoxy-4-nitro-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one, 7-chloro-5-methoxy-4-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
| Molecular Formula | C16H14ClN3O4 |
|---|---|
| Molecular Weight | 347.07 g/mol |
| LogP | 2.6333 |
| Topological Polar Surface Area | 84.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.0673 |
| Heavy Atoms | 24 |
| Complexity | 799.1645 |
Chemical Identifiers
| CAS Number | 62159-89-1 |
|---|---|
| SMILES | COC1(C2=C(C=CC(=C2)Cl)NC(=O)CN1[N+](=O)[O-])C3=CC=CC=C3 |
Product Overview
5-25-02-00182 (Beilstein Handbook Reference) (CAS 62159-89-1), with molecular formula C16H14ClN3O4 and molecular weight 347.07 g/mol. IUPAC: 7-chloro-5-methoxy-4-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.
Chemical Property Profile of 5-25-02-00182 (Beilstein Handbook Reference)
Property Insights of 5-25-02-00182 (Beilstein Handbook Reference)
The XLogP value of 2.6333 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-25-02-00182 (Beilstein Handbook Reference). The TPSA of 84.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-25-02-00182 (Beilstein Handbook Reference). Following Lipinski's Rule of Five, 5-25-02-00182 (Beilstein Handbook Reference) has 1 hydrogen bond donor(s) and 4 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 5-25-02-00182 (Beilstein Handbook Reference)?
The CAS number of 5-25-02-00182 (Beilstein Handbook Reference) is 62159-89-1.
What is the molecular formula of 5-25-02-00182 (Beilstein Handbook Reference)?
The molecular formula of 5-25-02-00182 (Beilstein Handbook Reference) is C16H14ClN3O4.
What is the molecular weight of 5-25-02-00182 (Beilstein Handbook Reference)?
The molecular weight of 5-25-02-00182 (Beilstein Handbook Reference) is 347.07 g/mol.
Where can I buy 5-25-02-00182 (Beilstein Handbook Reference)?
You can request a quote for 5-25-02-00182 (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 5-25-02-00182 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 5-25-02-00182 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.