2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-3-(4-chlorophenyl)-9-methyl-
TL;DR: 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-3-(4-chlorophenyl)-9-methyl- (CAS 124392-74-1) is a chemical compound with molecular formula C18H15ClN2O and molecular weight 310.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-9-methyl-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazole
Also Known As: 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-3-(4-chlorophenyl)-9-methyl-, 4,5-Dihydro-3-(4-chlorophenyl)-9-methyl-2H-(1)benzoxepino(5,4-c)pyrazole, 3-(4-chlorophenyl)-9-methyl-4,5-dihydro-1H-[1]benzoxepino[5,4-c]pyrazole, BRN 4523013, RefChem:267580
| Molecular Formula | C18H15ClN2O |
|---|---|
| Molecular Weight | 310.09 g/mol |
| LogP | 4.64042 |
| Topological Polar Surface Area | 37.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 310.08728 |
| Heavy Atoms | 22 |
| Complexity | 836.7935 |
Chemical Identifiers
| CAS Number | 124392-74-1 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OCCC3=C2NN=C3C4=CC=C(C=C4)Cl |
Product Overview
2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-3-(4-chlorophenyl)-9-methyl- (CAS 124392-74-1), with molecular formula C18H15ClN2O and molecular weight 310.09 g/mol. IUPAC: 3-(4-chlorophenyl)-9-methyl-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazole.
Chemical Property Profile of 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-3-(4-chlorophenyl)-9-methyl-
Property Insights of 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-3-(4-chlorophenyl)-9-methyl-
The XLogP value of 4.64042 indicates that 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-3-(4-chlorophenyl)-9-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.91 Ų, 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-3-(4-chlorophenyl)-9-methyl- 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-3-(4-chlorophenyl)-9-methyl- has 1 hydrogen bond donor(s) and 2 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-3-(4-chlorophenyl)-9-methyl-?
The CAS number of 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-3-(4-chlorophenyl)-9-methyl- is 124392-74-1.
What is the molecular formula of 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-3-(4-chlorophenyl)-9-methyl-?
The molecular formula of 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-3-(4-chlorophenyl)-9-methyl- is C18H15ClN2O.
What is the molecular weight of 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-3-(4-chlorophenyl)-9-methyl-?
The molecular weight of 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-3-(4-chlorophenyl)-9-methyl- is 310.09 g/mol.
Where can I buy 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-3-(4-chlorophenyl)-9-methyl-?
You can request a quote for 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-3-(4-chlorophenyl)-9-methyl- 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-3-(4-chlorophenyl)-9-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-3-(4-chlorophenyl)-9-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.