![4-(5-hydroxy-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-6-yl)phenyl acetate structure](/static/products/878/878439-87-3.png)
4-(5-hydroxy-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-6-yl)phenyl acetate
TL;DR: 4-(5-hydroxy-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-6-yl)phenyl acetate (CAS 878439-87-3) is a chemical compound with molecular formula C24H17NO3S and molecular weight 399.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(12-oxo-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-11-yl)phenyl] acetate
Also Known As: BAS 13557904, 4-(5-hydroxy-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-6-yl)phenyl acetate, [4-(12-oxo-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-11-yl)phenyl] acetate, 4-(12-oxo-11,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl acetate, 4-(12-oxo-5H,11H-benzo[b]indeno[3,2-e]1,4-thiazepin-11-yl)phenyl acetate
| Molecular Formula | C24H17NO3S |
|---|---|
| Molecular Weight | 399.09 g/mol |
| LogP | 5.4784 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 399.09293 |
| Heavy Atoms | 29 |
| Complexity | 1180.74 |
Chemical Identifiers
| CAS Number | 878439-87-3 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4C3=O)NC5=CC=CC=C5S2 |
Product Overview
4-(5-hydroxy-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-6-yl)phenyl acetate (CAS 878439-87-3), with molecular formula C24H17NO3S and molecular weight 399.09 g/mol. IUPAC: [4-(12-oxo-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-11-yl)phenyl] acetate.
Chemical Property Profile of 4-(5-hydroxy-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-6-yl)phenyl acetate
Property Insights of 4-(5-hydroxy-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-6-yl)phenyl acetate
The XLogP value of 5.4784 indicates that 4-(5-hydroxy-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-6-yl)phenyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 4-(5-hydroxy-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-6-yl)phenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(5-hydroxy-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-6-yl)phenyl acetate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(5-hydroxy-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-6-yl)phenyl acetate?
The CAS number of 4-(5-hydroxy-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-6-yl)phenyl acetate is 878439-87-3.
What is the molecular formula of 4-(5-hydroxy-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-6-yl)phenyl acetate?
The molecular formula of 4-(5-hydroxy-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-6-yl)phenyl acetate is C24H17NO3S.
What is the molecular weight of 4-(5-hydroxy-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-6-yl)phenyl acetate?
The molecular weight of 4-(5-hydroxy-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-6-yl)phenyl acetate is 399.09 g/mol.
Where can I buy 4-(5-hydroxy-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-6-yl)phenyl acetate?
You can request a quote for 4-(5-hydroxy-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-6-yl)phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-hydroxy-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-6-yl)phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-hydroxy-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-6-yl)phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.