7-Methoxy-3-phenyl-4-(p-(2-(1-pyrrolidyl)ethoxy)phenyl)-2H-1-benzothiopyran hydrochloride
TL;DR: 7-Methoxy-3-phenyl-4-(p-(2-(1-pyrrolidyl)ethoxy)phenyl)-2H-1-benzothiopyran hydrochloride (CAS 4100-29-2) is a chemical compound with molecular formula C28H30ClNO2S and molecular weight 479.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[4-(7-methoxy-3-phenyl-2H-thiochromen-4-yl)phenoxy]ethyl]pyrrolidine;hydrochloride
Also Known As: 7-Methoxy-3-phenyl-4-(p-(2-(1-pyrrolidyl)ethoxy)phenyl)-2H-1-benzothiopyran hydrochloride, Pyrrolidine, 1-(2-(4-(7-methoxy-3-phenyl-2H-1-benzothiopyran-4-yl)phenoxy)ethyl)-, hydrochloride, 1-(2-(4-(7-Methoxy-3-phenyl-2H-1-benzothiopyran-4-yl)phenoxy)ethyl)pyrrolidine hydrochloride, 1-{2-[4-(7-methoxy-3-phenyl-2h-thiochromen-4-yl)phenoxy]ethyl}pyrrolidine hydrochloride(1:1), 1-[2-[4-(7-methoxy-3-phenyl-2H-thiochromen-4-yl)phenoxy]ethyl]pyrrolidine hydrochloride
| Molecular Formula | C28H30ClNO2S |
|---|---|
| Molecular Weight | 479.17 g/mol |
| LogP | 6.6564 |
| Topological Polar Surface Area | 47.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 479.16858 |
| Heavy Atoms | 33 |
| Complexity | 617.0 |
Chemical Identifiers
| CAS Number | 4100-29-2 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C(=C(CS2)C3=CC=CC=C3)C4=CC=C(C=C4)OCCN5CCCC5.Cl |
| InChIKey | KPQNEISYAGOQNN-UHFFFAOYSA-N |
Product Overview
7-Methoxy-3-phenyl-4-(p-(2-(1-pyrrolidyl)ethoxy)phenyl)-2H-1-benzothiopyran hydrochloride (CAS 4100-29-2), with molecular formula C28H30ClNO2S and molecular weight 479.17 g/mol. IUPAC: 1-[2-[4-(7-methoxy-3-phenyl-2H-thiochromen-4-yl)phenoxy]ethyl]pyrrolidine;hydrochloride.
Chemical Property Profile of 7-Methoxy-3-phenyl-4-(p-(2-(1-pyrrolidyl)ethoxy)phenyl)-2H-1-benzothiopyran hydrochloride
Property Insights of 7-Methoxy-3-phenyl-4-(p-(2-(1-pyrrolidyl)ethoxy)phenyl)-2H-1-benzothiopyran hydrochloride
The XLogP value of 6.6564 indicates that 7-Methoxy-3-phenyl-4-(p-(2-(1-pyrrolidyl)ethoxy)phenyl)-2H-1-benzothiopyran hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.0 Ų, 7-Methoxy-3-phenyl-4-(p-(2-(1-pyrrolidyl)ethoxy)phenyl)-2H-1-benzothiopyran hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Methoxy-3-phenyl-4-(p-(2-(1-pyrrolidyl)ethoxy)phenyl)-2H-1-benzothiopyran hydrochloride has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-Methoxy-3-phenyl-4-(p-(2-(1-pyrrolidyl)ethoxy)phenyl)-2H-1-benzothiopyran hydrochloride?
The CAS number of 7-Methoxy-3-phenyl-4-(p-(2-(1-pyrrolidyl)ethoxy)phenyl)-2H-1-benzothiopyran hydrochloride is 4100-29-2.
What is the molecular formula of 7-Methoxy-3-phenyl-4-(p-(2-(1-pyrrolidyl)ethoxy)phenyl)-2H-1-benzothiopyran hydrochloride?
The molecular formula of 7-Methoxy-3-phenyl-4-(p-(2-(1-pyrrolidyl)ethoxy)phenyl)-2H-1-benzothiopyran hydrochloride is C28H30ClNO2S.
What is the molecular weight of 7-Methoxy-3-phenyl-4-(p-(2-(1-pyrrolidyl)ethoxy)phenyl)-2H-1-benzothiopyran hydrochloride?
The molecular weight of 7-Methoxy-3-phenyl-4-(p-(2-(1-pyrrolidyl)ethoxy)phenyl)-2H-1-benzothiopyran hydrochloride is 479.17 g/mol.
Where can I buy 7-Methoxy-3-phenyl-4-(p-(2-(1-pyrrolidyl)ethoxy)phenyl)-2H-1-benzothiopyran hydrochloride?
You can request a quote for 7-Methoxy-3-phenyl-4-(p-(2-(1-pyrrolidyl)ethoxy)phenyl)-2H-1-benzothiopyran hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methoxy-3-phenyl-4-(p-(2-(1-pyrrolidyl)ethoxy)phenyl)-2H-1-benzothiopyran hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 7-Methoxy-3-phenyl-4-(p-(2-(1-pyrrolidyl)ethoxy)phenyl)-2H-1-benzothiopyran hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.