4-(2-thienyl epoxymethyl)-3,4-dihydro-2-benzothiepin-5-(1H)-one
TL;DR: 4-(2-thienyl epoxymethyl)-3,4-dihydro-2-benzothiepin-5-(1H)-one (CAS 477871-63-9) is a chemical compound with molecular formula C15H12O2S2 and molecular weight 288.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3'-thiophen-2-ylspiro[1,3-dihydro-2-benzothiepine-4,2'-oxirane]-5-one
Also Known As: 4-(2-thienyl epoxymethyl)-3,4-dihydro-2-benzothiepin-5-(1H)-one, 1R-0683, 3'-thiophen-2-ylspiro[1,3-dihydro-2-benzothiepine-4,2'-oxirane]-5-one, 3'-(thiophen-2-yl)-3,5-dihydro-1H-spiro[2-benzothiepine-4,2'-oxirane]-5-one, 3'-(2-thienyl)spiro[1,3-dihydro-2-benzothiepine-4,2'-oxirane]-5-one
| Molecular Formula | C15H12O2S2 |
|---|---|
| Molecular Weight | 288.03 g/mol |
| LogP | 3.6879 |
| Topological Polar Surface Area | 29.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 288.02786 |
| Heavy Atoms | 19 |
| Complexity | 635.3549 |
Chemical Identifiers
| CAS Number | 477871-63-9 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(=O)C3(CS1)C(O3)C4=CC=CS4 |
Product Overview
4-(2-thienyl epoxymethyl)-3,4-dihydro-2-benzothiepin-5-(1H)-one (CAS 477871-63-9), with molecular formula C15H12O2S2 and molecular weight 288.03 g/mol. IUPAC: 3'-thiophen-2-ylspiro[1,3-dihydro-2-benzothiepine-4,2'-oxirane]-5-one.
Chemical Property Profile of 4-(2-thienyl epoxymethyl)-3,4-dihydro-2-benzothiepin-5-(1H)-one
Property Insights of 4-(2-thienyl epoxymethyl)-3,4-dihydro-2-benzothiepin-5-(1H)-one
The XLogP value of 3.6879 indicates that 4-(2-thienyl epoxymethyl)-3,4-dihydro-2-benzothiepin-5-(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.6 Ų, 4-(2-thienyl epoxymethyl)-3,4-dihydro-2-benzothiepin-5-(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-thienyl epoxymethyl)-3,4-dihydro-2-benzothiepin-5-(1H)-one 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-(2-thienyl epoxymethyl)-3,4-dihydro-2-benzothiepin-5-(1H)-one?
The CAS number of 4-(2-thienyl epoxymethyl)-3,4-dihydro-2-benzothiepin-5-(1H)-one is 477871-63-9.
What is the molecular formula of 4-(2-thienyl epoxymethyl)-3,4-dihydro-2-benzothiepin-5-(1H)-one?
The molecular formula of 4-(2-thienyl epoxymethyl)-3,4-dihydro-2-benzothiepin-5-(1H)-one is C15H12O2S2.
What is the molecular weight of 4-(2-thienyl epoxymethyl)-3,4-dihydro-2-benzothiepin-5-(1H)-one?
The molecular weight of 4-(2-thienyl epoxymethyl)-3,4-dihydro-2-benzothiepin-5-(1H)-one is 288.03 g/mol.
Where can I buy 4-(2-thienyl epoxymethyl)-3,4-dihydro-2-benzothiepin-5-(1H)-one?
You can request a quote for 4-(2-thienyl epoxymethyl)-3,4-dihydro-2-benzothiepin-5-(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-thienyl epoxymethyl)-3,4-dihydro-2-benzothiepin-5-(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-thienyl epoxymethyl)-3,4-dihydro-2-benzothiepin-5-(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.