![6-[4-(methylsulfanyl)phenyl]-6,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-one structure](/static/products/6952/695219-97-7.webp)
6-[4-(methylsulfanyl)phenyl]-6,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-one
TL;DR: 6-[4-(methylsulfanyl)phenyl]-6,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-one (CAS 695219-97-7) is a chemical compound with molecular formula C23H17NOS2 and molecular weight 387.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(4-methylsulfanylphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
Also Known As: 6-[4-(methylsulfanyl)phenyl]-6,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-one, 6-[4-(methylsulfanyl)phenyl]-6,12-dihydro-7H-indeno[2,1-c][1,5]benzothiazepin-7-one, A3551/0150556, 11-(4-(methylthio)phenyl)-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-12(11H)-one, 11-(4-methylsulfanylphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
| Molecular Formula | C23H17NOS2 |
|---|---|
| Molecular Weight | 387.08 g/mol |
| LogP | 6.275 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 387.07516 |
| Heavy Atoms | 27 |
| Complexity | 1085.5424 |
Chemical Identifiers
| CAS Number | 695219-97-7 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4C3=O)NC5=CC=CC=C5S2 |
Product Overview
6-[4-(methylsulfanyl)phenyl]-6,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-one (CAS 695219-97-7), with molecular formula C23H17NOS2 and molecular weight 387.08 g/mol. IUPAC: 11-(4-methylsulfanylphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one.
Chemical Property Profile of 6-[4-(methylsulfanyl)phenyl]-6,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-one
Property Insights of 6-[4-(methylsulfanyl)phenyl]-6,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-one
The XLogP value of 6.275 indicates that 6-[4-(methylsulfanyl)phenyl]-6,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 6-[4-(methylsulfanyl)phenyl]-6,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-[4-(methylsulfanyl)phenyl]-6,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-one 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 6-[4-(methylsulfanyl)phenyl]-6,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-one?
The CAS number of 6-[4-(methylsulfanyl)phenyl]-6,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-one is 695219-97-7.
What is the molecular formula of 6-[4-(methylsulfanyl)phenyl]-6,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-one?
The molecular formula of 6-[4-(methylsulfanyl)phenyl]-6,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-one is C23H17NOS2.
What is the molecular weight of 6-[4-(methylsulfanyl)phenyl]-6,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-one?
The molecular weight of 6-[4-(methylsulfanyl)phenyl]-6,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-one is 387.08 g/mol.
Where can I buy 6-[4-(methylsulfanyl)phenyl]-6,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-one?
You can request a quote for 6-[4-(methylsulfanyl)phenyl]-6,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[4-(methylsulfanyl)phenyl]-6,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 6-[4-(methylsulfanyl)phenyl]-6,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.