4-benzyloxy-3,3-difluoro-2-piperidinone
TL;DR: 4-benzyloxy-3,3-difluoro-2-piperidinone (CAS 120656-45-3) is a chemical compound with molecular formula C21H31NO3S and molecular weight 377.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-3-thiophen-2-yl-6-(3,4,5-trimethoxyphenyl)hexan-3-amine
Also Known As: 4-benzyloxy-3,3-difluoro-2-piperidinone, 1-Ethyl-4-(3,4,5-trimethoxyphenyl)-1-(2-thienyl)-N,N-dimethylbutylamine, 2-Thiophenemethanamine, N,N-dimethyl-alpha-ethyl-alpha-(3-(3,4,5-trimethoxyphenyl)propyl)-, N,N-Dimethyl-alpha-ethyl-alpha-(3-(3,4,5-trimethoxyphenyl)propyl)-2-thiophenemethanamine, N,N-dimethyl-3-thiophen-2-yl-6-(3,4,5-trimethoxyphenyl)hexan-3-amine
| Molecular Formula | C21H31NO3S |
|---|---|
| Molecular Weight | 377.20 g/mol |
| LogP | 4.9637 |
| Topological Polar Surface Area | 30.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 377.20245 |
| Heavy Atoms | 26 |
| Complexity | 659.5647 |
Chemical Identifiers
| CAS Number | 120656-45-3 |
|---|---|
| SMILES | CCC(CCCC1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CS2)N(C)C |
Product Overview
4-benzyloxy-3,3-difluoro-2-piperidinone (CAS 120656-45-3), with molecular formula C21H31NO3S and molecular weight 377.20 g/mol. IUPAC: N,N-dimethyl-3-thiophen-2-yl-6-(3,4,5-trimethoxyphenyl)hexan-3-amine.
Chemical Property Profile of 4-benzyloxy-3,3-difluoro-2-piperidinone
Property Insights of 4-benzyloxy-3,3-difluoro-2-piperidinone
The XLogP value of 4.9637 indicates that 4-benzyloxy-3,3-difluoro-2-piperidinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.93 Ų, 4-benzyloxy-3,3-difluoro-2-piperidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-benzyloxy-3,3-difluoro-2-piperidinone has 0 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 4-benzyloxy-3,3-difluoro-2-piperidinone?
The CAS number of 4-benzyloxy-3,3-difluoro-2-piperidinone is 120656-45-3.
What is the molecular formula of 4-benzyloxy-3,3-difluoro-2-piperidinone?
The molecular formula of 4-benzyloxy-3,3-difluoro-2-piperidinone is C21H31NO3S.
What is the molecular weight of 4-benzyloxy-3,3-difluoro-2-piperidinone?
The molecular weight of 4-benzyloxy-3,3-difluoro-2-piperidinone is 377.20 g/mol.
Where can I buy 4-benzyloxy-3,3-difluoro-2-piperidinone?
You can request a quote for 4-benzyloxy-3,3-difluoro-2-piperidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-benzyloxy-3,3-difluoro-2-piperidinone?
Yes, KEHONG BIO provides custom synthesis services for 4-benzyloxy-3,3-difluoro-2-piperidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.