(Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(thiophen-2-ylmethylene)benzofuran-3(2H)-one
TL;DR: (Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(thiophen-2-ylmethylene)benzofuran-3(2H)-one (CAS 899412-98-7) is a chemical compound with molecular formula C20H21NO3S and molecular weight 355.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one
Also Known As: (Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(thiophen-2-ylmethylene)benzofuran-3(2H)-one, F3385-2538, (2Z)-7-[(azepan-1-yl)methyl]-6-hydroxy-2-[(thiophen-2-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one, (2Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one, (2Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(thiophen-2-ylmethylidene)-1-benzofuran-3(2H)-one
| Molecular Formula | C20H21NO3S |
|---|---|
| Molecular Weight | 355.12 g/mol |
| LogP | 4.4459 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.1242 |
| Heavy Atoms | 25 |
| Complexity | 802.5988 |
Chemical Identifiers
| CAS Number | 899412-98-7 |
|---|---|
| SMILES | C1CCCN(CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC=CS4)/C3=O)O |
Product Overview
(Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(thiophen-2-ylmethylene)benzofuran-3(2H)-one (CAS 899412-98-7), with molecular formula C20H21NO3S and molecular weight 355.12 g/mol. IUPAC: (2Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one.
Chemical Property Profile of (Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(thiophen-2-ylmethylene)benzofuran-3(2H)-one
Property Insights of (Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(thiophen-2-ylmethylene)benzofuran-3(2H)-one
The XLogP value of 4.4459 indicates that (Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(thiophen-2-ylmethylene)benzofuran-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.77 Ų, (Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(thiophen-2-ylmethylene)benzofuran-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(thiophen-2-ylmethylene)benzofuran-3(2H)-one 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)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(thiophen-2-ylmethylene)benzofuran-3(2H)-one?
The CAS number of (Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(thiophen-2-ylmethylene)benzofuran-3(2H)-one is 899412-98-7.
What is the molecular formula of (Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(thiophen-2-ylmethylene)benzofuran-3(2H)-one?
The molecular formula of (Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(thiophen-2-ylmethylene)benzofuran-3(2H)-one is C20H21NO3S.
What is the molecular weight of (Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(thiophen-2-ylmethylene)benzofuran-3(2H)-one?
The molecular weight of (Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(thiophen-2-ylmethylene)benzofuran-3(2H)-one is 355.12 g/mol.
Where can I buy (Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(thiophen-2-ylmethylene)benzofuran-3(2H)-one?
You can request a quote for (Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(thiophen-2-ylmethylene)benzofuran-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(thiophen-2-ylmethylene)benzofuran-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(thiophen-2-ylmethylene)benzofuran-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.