![3-amino-5H-benzo[b][1]benzothiepin-6-one structure](/static/products/525/52548-44-4.png)
3-amino-5H-benzo[b][1]benzothiepin-6-one
TL;DR: 3-amino-5H-benzo[b][1]benzothiepin-6-one (CAS 52548-44-4) is a chemical compound with molecular formula C14H11NOS and molecular weight 241.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-5H-benzo[b][1]benzothiepin-6-one
Also Known As: 2-aminodibenzo[b,f]thiepin-10(11H)-one, 3-amino-5H-benzo[b][1]benzothiepin-6-one, 2-amino-10-oxo-dibenzo[b,f]thiepine, AE-641/30101062
| Molecular Formula | C14H11NOS |
|---|---|
| Molecular Weight | 241.06 g/mol |
| LogP | 3.1588 |
| Topological Polar Surface Area | 43.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 241.05614 |
| Heavy Atoms | 17 |
| Complexity | 606.92126 |
Chemical Identifiers
| CAS Number | 52548-44-4 |
|---|---|
| SMILES | C1C2=C(C=CC(=C2)N)SC3=CC=CC=C3C1=O |
Product Overview
3-amino-5H-benzo[b][1]benzothiepin-6-one (CAS 52548-44-4), with molecular formula C14H11NOS and molecular weight 241.06 g/mol. IUPAC: 3-amino-5H-benzo[b][1]benzothiepin-6-one.
Chemical Property Profile of 3-amino-5H-benzo[b][1]benzothiepin-6-one
Property Insights of 3-amino-5H-benzo[b][1]benzothiepin-6-one
The XLogP value of 3.1588 indicates that 3-amino-5H-benzo[b][1]benzothiepin-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.09 Ų, 3-amino-5H-benzo[b][1]benzothiepin-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-amino-5H-benzo[b][1]benzothiepin-6-one has 1 hydrogen bond donor(s) and 3 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 3-amino-5H-benzo[b][1]benzothiepin-6-one?
The CAS number of 3-amino-5H-benzo[b][1]benzothiepin-6-one is 52548-44-4.
What is the molecular formula of 3-amino-5H-benzo[b][1]benzothiepin-6-one?
The molecular formula of 3-amino-5H-benzo[b][1]benzothiepin-6-one is C14H11NOS.
What is the molecular weight of 3-amino-5H-benzo[b][1]benzothiepin-6-one?
The molecular weight of 3-amino-5H-benzo[b][1]benzothiepin-6-one is 241.06 g/mol.
Where can I buy 3-amino-5H-benzo[b][1]benzothiepin-6-one?
You can request a quote for 3-amino-5H-benzo[b][1]benzothiepin-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-amino-5H-benzo[b][1]benzothiepin-6-one?
Yes, KEHONG BIO provides custom synthesis services for 3-amino-5H-benzo[b][1]benzothiepin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.