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[4-(3,4-Dimethoxyphenyl)oxan-4-yl]-pyrrolidin-1-ylmethanone
TL;DR: [4-(3,4-Dimethoxyphenyl)oxan-4-yl]-pyrrolidin-1-ylmethanone (CAS 433952-46-6) is a chemical compound with molecular formula C18H25NO4 and molecular weight 319.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(3,4-dimethoxyphenyl)oxan-4-yl]-pyrrolidin-1-ylmethanone
Also Known As: ChemDiv1_024294, BAS 03427894, [4-(3,4-dimethoxyphenyl)oxan-4-yl]-pyrrolidin-1-ylmethanone, [4-(3,4-Dimethoxy-phenyl)-tetrahydro-pyran-4-yl]-pyrrolidin-1-yl-methanone, (4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-yl)(pyrrolidin-1-yl)methanone
| Molecular Formula | C18H25NO4 |
|---|---|
| Molecular Weight | 319.18 g/mol |
| LogP | 2.3744 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.17834 |
| Heavy Atoms | 23 |
| Complexity | 560.1401 |
Chemical Identifiers
| CAS Number | 433952-46-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2(CCOCC2)C(=O)N3CCCC3)OC |
Product Overview
[4-(3,4-Dimethoxyphenyl)oxan-4-yl]-pyrrolidin-1-ylmethanone (CAS 433952-46-6), with molecular formula C18H25NO4 and molecular weight 319.18 g/mol. IUPAC: [4-(3,4-dimethoxyphenyl)oxan-4-yl]-pyrrolidin-1-ylmethanone.
Chemical Property Profile of [4-(3,4-Dimethoxyphenyl)oxan-4-yl]-pyrrolidin-1-ylmethanone
Property Insights of [4-(3,4-Dimethoxyphenyl)oxan-4-yl]-pyrrolidin-1-ylmethanone
The XLogP value of 2.3744 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-(3,4-Dimethoxyphenyl)oxan-4-yl]-pyrrolidin-1-ylmethanone. With a topological polar surface area (TPSA) of 48.0 Ų, [4-(3,4-Dimethoxyphenyl)oxan-4-yl]-pyrrolidin-1-ylmethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [4-(3,4-Dimethoxyphenyl)oxan-4-yl]-pyrrolidin-1-ylmethanone 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 [4-(3,4-Dimethoxyphenyl)oxan-4-yl]-pyrrolidin-1-ylmethanone?
The CAS number of [4-(3,4-Dimethoxyphenyl)oxan-4-yl]-pyrrolidin-1-ylmethanone is 433952-46-6.
What is the molecular formula of [4-(3,4-Dimethoxyphenyl)oxan-4-yl]-pyrrolidin-1-ylmethanone?
The molecular formula of [4-(3,4-Dimethoxyphenyl)oxan-4-yl]-pyrrolidin-1-ylmethanone is C18H25NO4.
What is the molecular weight of [4-(3,4-Dimethoxyphenyl)oxan-4-yl]-pyrrolidin-1-ylmethanone?
The molecular weight of [4-(3,4-Dimethoxyphenyl)oxan-4-yl]-pyrrolidin-1-ylmethanone is 319.18 g/mol.
Where can I buy [4-(3,4-Dimethoxyphenyl)oxan-4-yl]-pyrrolidin-1-ylmethanone?
You can request a quote for [4-(3,4-Dimethoxyphenyl)oxan-4-yl]-pyrrolidin-1-ylmethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(3,4-Dimethoxyphenyl)oxan-4-yl]-pyrrolidin-1-ylmethanone?
Yes, KEHONG BIO provides custom synthesis services for [4-(3,4-Dimethoxyphenyl)oxan-4-yl]-pyrrolidin-1-ylmethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.