(Z)-(4-(hydroxyimino)-3,6,6-trimethyl-4,5,6,7-tetrahydrobenzofuran-2-yl)(4-phenylpiperazin-1-yl)methanone
TL;DR: (Z)-(4-(hydroxyimino)-3,6,6-trimethyl-4,5,6,7-tetrahydrobenzofuran-2-yl)(4-phenylpiperazin-1-yl)methanone (CAS 879915-85-2) is a chemical compound with molecular formula C22H27N3O3 and molecular weight 381.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4Z)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-yl]-(4-phenylpiperazin-1-yl)methanone
Also Known As: (Z)-(4-(hydroxyimino)-3,6,6-trimethyl-4,5,6,7-tetrahydrobenzofuran-2-yl)(4-phenylpiperazin-1-yl)methanone, [(4Z)-4-(hydroxyimino)-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl](4-phenylpiperazin-1-yl)methanone, [(4Z)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-yl]-(4-phenylpiperazin-1-yl)methanone, 4-(hydroxyimino)-3,6,6-trimethyl(5,6,7-trihydrobenzo[2,1-d]furan-2-yl) 4-pheny lpiperazinyl ketone
| Molecular Formula | C22H27N3O3 |
|---|---|
| Molecular Weight | 381.21 g/mol |
| LogP | 3.70112 |
| Topological Polar Surface Area | 69.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 381.20523 |
| Heavy Atoms | 28 |
| Complexity | 906.6082 |
Chemical Identifiers
| CAS Number | 879915-85-2 |
|---|---|
| SMILES | CC1=C(OC2=C1/C(=N\O)/CC(C2)(C)C)C(=O)N3CCN(CC3)C4=CC=CC=C4 |
Product Overview
(Z)-(4-(hydroxyimino)-3,6,6-trimethyl-4,5,6,7-tetrahydrobenzofuran-2-yl)(4-phenylpiperazin-1-yl)methanone (CAS 879915-85-2), with molecular formula C22H27N3O3 and molecular weight 381.21 g/mol. IUPAC: [(4Z)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-yl]-(4-phenylpiperazin-1-yl)methanone.
Chemical Property Profile of (Z)-(4-(hydroxyimino)-3,6,6-trimethyl-4,5,6,7-tetrahydrobenzofuran-2-yl)(4-phenylpiperazin-1-yl)methanone
Property Insights of (Z)-(4-(hydroxyimino)-3,6,6-trimethyl-4,5,6,7-tetrahydrobenzofuran-2-yl)(4-phenylpiperazin-1-yl)methanone
The XLogP value of 3.70112 indicates that (Z)-(4-(hydroxyimino)-3,6,6-trimethyl-4,5,6,7-tetrahydrobenzofuran-2-yl)(4-phenylpiperazin-1-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.28 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-(4-(hydroxyimino)-3,6,6-trimethyl-4,5,6,7-tetrahydrobenzofuran-2-yl)(4-phenylpiperazin-1-yl)methanone. Following Lipinski's Rule of Five, (Z)-(4-(hydroxyimino)-3,6,6-trimethyl-4,5,6,7-tetrahydrobenzofuran-2-yl)(4-phenylpiperazin-1-yl)methanone 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 (Z)-(4-(hydroxyimino)-3,6,6-trimethyl-4,5,6,7-tetrahydrobenzofuran-2-yl)(4-phenylpiperazin-1-yl)methanone?
The CAS number of (Z)-(4-(hydroxyimino)-3,6,6-trimethyl-4,5,6,7-tetrahydrobenzofuran-2-yl)(4-phenylpiperazin-1-yl)methanone is 879915-85-2.
What is the molecular formula of (Z)-(4-(hydroxyimino)-3,6,6-trimethyl-4,5,6,7-tetrahydrobenzofuran-2-yl)(4-phenylpiperazin-1-yl)methanone?
The molecular formula of (Z)-(4-(hydroxyimino)-3,6,6-trimethyl-4,5,6,7-tetrahydrobenzofuran-2-yl)(4-phenylpiperazin-1-yl)methanone is C22H27N3O3.
What is the molecular weight of (Z)-(4-(hydroxyimino)-3,6,6-trimethyl-4,5,6,7-tetrahydrobenzofuran-2-yl)(4-phenylpiperazin-1-yl)methanone?
The molecular weight of (Z)-(4-(hydroxyimino)-3,6,6-trimethyl-4,5,6,7-tetrahydrobenzofuran-2-yl)(4-phenylpiperazin-1-yl)methanone is 381.21 g/mol.
Where can I buy (Z)-(4-(hydroxyimino)-3,6,6-trimethyl-4,5,6,7-tetrahydrobenzofuran-2-yl)(4-phenylpiperazin-1-yl)methanone?
You can request a quote for (Z)-(4-(hydroxyimino)-3,6,6-trimethyl-4,5,6,7-tetrahydrobenzofuran-2-yl)(4-phenylpiperazin-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 (Z)-(4-(hydroxyimino)-3,6,6-trimethyl-4,5,6,7-tetrahydrobenzofuran-2-yl)(4-phenylpiperazin-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (Z)-(4-(hydroxyimino)-3,6,6-trimethyl-4,5,6,7-tetrahydrobenzofuran-2-yl)(4-phenylpiperazin-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.