Piperidine, 1-(3-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-2-methoxypropyl)-4-phenyl-, (E)-2-butenedioate (1:1)
TL;DR: Piperidine, 1-(3-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-2-methoxypropyl)-4-phenyl-, (E)-2-butenedioate (1:1) (CAS 153804-60-5) is a chemical compound with molecular formula C28H35NO6S and molecular weight 513.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;1-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)-2-methoxypropyl]-4-phenylpiperidine
Also Known As: Piperidine, 1-(3-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-2-methoxypropyl)-4-phenyl-, (E)-2-butenedioate (1:1), 8-((2-Methoxy-3-(4-phenylpiperidin-1-yl)propyl)oxy)thiochroman fumarate
| Molecular Formula | C28H35NO6S |
|---|---|
| Molecular Weight | 513.22 g/mol |
| LogP | 4.7101 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 513.2185 |
| Heavy Atoms | 36 |
| Complexity | 988.35443 |
Chemical Identifiers
| CAS Number | 153804-60-5 |
|---|---|
| SMILES | COC(CN1CCC(CC1)C2=CC=CC=C2)COC3=CC=CC4=C3SCCC4.C(=CC(=O)O)C(=O)O |
Product Overview
Piperidine, 1-(3-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-2-methoxypropyl)-4-phenyl-, (E)-2-butenedioate (1:1) (CAS 153804-60-5), with molecular formula C28H35NO6S and molecular weight 513.22 g/mol. IUPAC: but-2-enedioic acid;1-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)-2-methoxypropyl]-4-phenylpiperidine.
Chemical Property Profile of Piperidine, 1-(3-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-2-methoxypropyl)-4-phenyl-, (E)-2-butenedioate (1:1)
Property Insights of Piperidine, 1-(3-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-2-methoxypropyl)-4-phenyl-, (E)-2-butenedioate (1:1)
The XLogP value of 4.7101 indicates that Piperidine, 1-(3-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-2-methoxypropyl)-4-phenyl-, (E)-2-butenedioate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Piperidine, 1-(3-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-2-methoxypropyl)-4-phenyl-, (E)-2-butenedioate (1:1). Following Lipinski's Rule of Five, Piperidine, 1-(3-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-2-methoxypropyl)-4-phenyl-, (E)-2-butenedioate (1:1) has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Piperidine, 1-(3-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-2-methoxypropyl)-4-phenyl-, (E)-2-butenedioate (1:1)?
The CAS number of Piperidine, 1-(3-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-2-methoxypropyl)-4-phenyl-, (E)-2-butenedioate (1:1) is 153804-60-5.
What is the molecular formula of Piperidine, 1-(3-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-2-methoxypropyl)-4-phenyl-, (E)-2-butenedioate (1:1)?
The molecular formula of Piperidine, 1-(3-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-2-methoxypropyl)-4-phenyl-, (E)-2-butenedioate (1:1) is C28H35NO6S.
What is the molecular weight of Piperidine, 1-(3-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-2-methoxypropyl)-4-phenyl-, (E)-2-butenedioate (1:1)?
The molecular weight of Piperidine, 1-(3-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-2-methoxypropyl)-4-phenyl-, (E)-2-butenedioate (1:1) is 513.22 g/mol.
Where can I buy Piperidine, 1-(3-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-2-methoxypropyl)-4-phenyl-, (E)-2-butenedioate (1:1)?
You can request a quote for Piperidine, 1-(3-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-2-methoxypropyl)-4-phenyl-, (E)-2-butenedioate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperidine, 1-(3-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-2-methoxypropyl)-4-phenyl-, (E)-2-butenedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Piperidine, 1-(3-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-2-methoxypropyl)-4-phenyl-, (E)-2-butenedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.