methanone structure](/static/products/956/956449-77-7.png)
[3-(3,4-Dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl](hexahydro-1H-azepin-1-yl)methanone
TL;DR: [3-(3,4-Dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl](hexahydro-1H-azepin-1-yl)methanone (CAS 956449-77-7) is a chemical compound with molecular formula C24H27N3O3 and molecular weight 405.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methanone
Also Known As: [3-(3,4-Dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl](hexahydro-1H-azepin-1-yl)methanone|(Azepan-1-yl)[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanone|azepan-1-yl-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methanone
| Molecular Formula | C24H27N3O3 |
|---|---|
| Molecular Weight | 405.21 g/mol |
| LogP | 4.5727 |
| Topological Polar Surface Area | 56.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.20523 |
| Heavy Atoms | 30 |
| Complexity | 1005.7905 |
Chemical Identifiers
| CAS Number | 956449-77-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)N3CCCCCC3)C4=CC=CC=C4)OC |
Product Overview
[3-(3,4-Dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl](hexahydro-1H-azepin-1-yl)methanone (CAS 956449-77-7), with molecular formula C24H27N3O3 and molecular weight 405.21 g/mol. IUPAC: azepan-1-yl-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methanone.
Chemical Property Profile of [3-(3,4-Dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl](hexahydro-1H-azepin-1-yl)methanone
Property Insights of [3-(3,4-Dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl](hexahydro-1H-azepin-1-yl)methanone
The XLogP value of 4.5727 indicates that [3-(3,4-Dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl](hexahydro-1H-azepin-1-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.59 Ų, [3-(3,4-Dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl](hexahydro-1H-azepin-1-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [3-(3,4-Dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl](hexahydro-1H-azepin-1-yl)methanone has 0 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 [3-(3,4-Dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl](hexahydro-1H-azepin-1-yl)methanone?
The CAS number of [3-(3,4-Dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl](hexahydro-1H-azepin-1-yl)methanone is 956449-77-7.
What is the molecular formula of [3-(3,4-Dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl](hexahydro-1H-azepin-1-yl)methanone?
The molecular formula of [3-(3,4-Dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl](hexahydro-1H-azepin-1-yl)methanone is C24H27N3O3.
What is the molecular weight of [3-(3,4-Dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl](hexahydro-1H-azepin-1-yl)methanone?
The molecular weight of [3-(3,4-Dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl](hexahydro-1H-azepin-1-yl)methanone is 405.21 g/mol.
Where can I buy [3-(3,4-Dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl](hexahydro-1H-azepin-1-yl)methanone?
You can request a quote for [3-(3,4-Dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl](hexahydro-1H-azepin-1-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-(3,4-Dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl](hexahydro-1H-azepin-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for [3-(3,4-Dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl](hexahydro-1H-azepin-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.