2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-8,9-dimethyl-3-(4-methoxyphenyl)-
TL;DR: 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-8,9-dimethyl-3-(4-methoxyphenyl)- (CAS 124392-80-9) is a chemical compound with molecular formula C20H20N2O2 and molecular weight 320.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)-8,9-dimethyl-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazole
Also Known As: 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-8,9-dimethyl-3-(4-methoxyphenyl)-, 4,5-Dihydro-8,9-dimethyl-3-(4-methoxyphenyl)-2H-(1)benzoxepino(5,4-c)pyrazole, 3-(4-methoxyphenyl)-8,9-dimethyl-4,5-dihydro-1H-[1]benzoxepino[5,4-c]pyrazole, BRN 4547003, RefChem:267585
| Molecular Formula | C20H20N2O2 |
|---|---|
| Molecular Weight | 320.15 g/mol |
| LogP | 4.30404 |
| Topological Polar Surface Area | 47.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.15247 |
| Heavy Atoms | 24 |
| Complexity | 894.7475 |
Chemical Identifiers
| CAS Number | 124392-80-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)OCCC3=C2NN=C3C4=CC=C(C=C4)OC |
Product Overview
2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-8,9-dimethyl-3-(4-methoxyphenyl)- (CAS 124392-80-9), with molecular formula C20H20N2O2 and molecular weight 320.15 g/mol. IUPAC: 3-(4-methoxyphenyl)-8,9-dimethyl-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazole.
Chemical Property Profile of 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-8,9-dimethyl-3-(4-methoxyphenyl)-
Property Insights of 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-8,9-dimethyl-3-(4-methoxyphenyl)-
The XLogP value of 4.30404 indicates that 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-8,9-dimethyl-3-(4-methoxyphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.14 Ų, 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-8,9-dimethyl-3-(4-methoxyphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-8,9-dimethyl-3-(4-methoxyphenyl)- has 1 hydrogen bond donor(s) and 3 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 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-8,9-dimethyl-3-(4-methoxyphenyl)-?
The CAS number of 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-8,9-dimethyl-3-(4-methoxyphenyl)- is 124392-80-9.
What is the molecular formula of 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-8,9-dimethyl-3-(4-methoxyphenyl)-?
The molecular formula of 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-8,9-dimethyl-3-(4-methoxyphenyl)- is C20H20N2O2.
What is the molecular weight of 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-8,9-dimethyl-3-(4-methoxyphenyl)-?
The molecular weight of 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-8,9-dimethyl-3-(4-methoxyphenyl)- is 320.15 g/mol.
Where can I buy 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-8,9-dimethyl-3-(4-methoxyphenyl)-?
You can request a quote for 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-8,9-dimethyl-3-(4-methoxyphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-8,9-dimethyl-3-(4-methoxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-8,9-dimethyl-3-(4-methoxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.