RefChem:267579
TL;DR: RefChem:267579 (CAS 124405-82-9) is a chemical compound with molecular formula C25H21ClN2O and molecular weight 400.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-8,9-dimethyl-2-phenyl-4,5-dihydro-[1]benzoxepino[5,4-c]pyrazole
Also Known As: 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-3-(4-chlorophenyl)-8,9-dimethyl-2-phenyl-, 4,5-Dihydro-3-(4-chlorophenyl)-8,9-dimethyl-2-phenyl-2H-(1)benzoxepino(5,4-c)pyrazole, 3-(4-chlorophenyl)-8,9-dimethyl-2-phenyl-4,5-dihydro-[1]benzoxepino[5,4-c]pyrazole, 3-(4-Chlorophenyl)-8,9-dimethyl-2-phenyl-4,5-dihydro-2H-[1]benzoxepino[5,4-c]pyrazole, BRN 4578521
| Molecular Formula | C25H21ClN2O |
|---|---|
| Molecular Weight | 400.13 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 27.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 400.13425 |
| Heavy Atoms | 29 |
| Complexity | 545.0 |
Chemical Identifiers
| CAS Number | 124405-82-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)OCCC3=C(N(N=C32)C4=CC=CC=C4)C5=CC=C(C=C5)Cl |
| InChIKey | LBISNZREDGWMHC-UHFFFAOYSA-N |
Product Overview
RefChem:267579 (CAS 124405-82-9), with molecular formula C25H21ClN2O and molecular weight 400.13 g/mol. IUPAC: 3-(4-chlorophenyl)-8,9-dimethyl-2-phenyl-4,5-dihydro-[1]benzoxepino[5,4-c]pyrazole.
Chemical Property Profile of RefChem:267579
Property Insights of RefChem:267579
The XLogP value of 6.6 indicates that RefChem:267579 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.1 Ų, RefChem:267579 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:267579 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:267579?
The CAS number of RefChem:267579 is 124405-82-9.
What is the molecular formula of RefChem:267579?
The molecular formula of RefChem:267579 is C25H21ClN2O.
What is the molecular weight of RefChem:267579?
The molecular weight of RefChem:267579 is 400.13 g/mol.
Where can I buy RefChem:267579?
You can request a quote for RefChem:267579 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:267579?
Yes, KEHONG BIO provides custom synthesis services for RefChem:267579 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.