5-25-02-00241 (Beilstein Handbook Reference)
TL;DR: 5-25-02-00241 (Beilstein Handbook Reference) (CAS 55774-33-9) is a chemical compound with molecular formula C21H21ClN2O4 and molecular weight 400.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
Also Known As: 5-25-02-00241 (Beilstein Handbook Reference), 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-3-((2,2-dimethyl-1,3-dioxolan-4-yl)methoxy)-5-phenyl-, 7-chloro-3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one, 7-chloro-3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-5-phenyl-1,3-dihydro-2h-1,4-benzodiazepin-2-one, 7-Chloro-3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-5-phenyl-3H-1,4-benzodiazepin-2-ol
| Molecular Formula | C21H21ClN2O4 |
|---|---|
| Molecular Weight | 400.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 69.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.119 |
| Heavy Atoms | 28 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 55774-33-9 |
|---|---|
| SMILES | CC1(OCC(O1)COC2C(=O)NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4)C |
| InChIKey | ZQDXWYQEGBMDCN-UHFFFAOYSA-N |
Product Overview
5-25-02-00241 (Beilstein Handbook Reference) (CAS 55774-33-9), with molecular formula C21H21ClN2O4 and molecular weight 400.12 g/mol. IUPAC: 7-chloro-3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.
Chemical Property Profile of 5-25-02-00241 (Beilstein Handbook Reference)
Property Insights of 5-25-02-00241 (Beilstein Handbook Reference)
The XLogP value of 3.2 indicates that 5-25-02-00241 (Beilstein Handbook Reference) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-25-02-00241 (Beilstein Handbook Reference). Following Lipinski's Rule of Five, 5-25-02-00241 (Beilstein Handbook Reference) 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 5-25-02-00241 (Beilstein Handbook Reference)?
The CAS number of 5-25-02-00241 (Beilstein Handbook Reference) is 55774-33-9.
What is the molecular formula of 5-25-02-00241 (Beilstein Handbook Reference)?
The molecular formula of 5-25-02-00241 (Beilstein Handbook Reference) is C21H21ClN2O4.
What is the molecular weight of 5-25-02-00241 (Beilstein Handbook Reference)?
The molecular weight of 5-25-02-00241 (Beilstein Handbook Reference) is 400.12 g/mol.
Where can I buy 5-25-02-00241 (Beilstein Handbook Reference)?
You can request a quote for 5-25-02-00241 (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 5-25-02-00241 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 5-25-02-00241 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.