![pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one structure](/static/products/1065/106515-31-5.webp)
pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one
TL;DR: pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one (CAS 106515-31-5) is a chemical compound with molecular formula C12H8N2OS and molecular weight 228.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5H-pyrido[2,3-b][1,4]benzothiazepin-6-one
Also Known As: pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one, 5H-pyrido[2,3-b][1,4]benzothiazepin-6-one, 6H-pyrido(2,3-b)benzo-1,4-thiazepine-6-one, Benzo[f]pyrido[2,3-b][1,4]thiazepin-6(5H)-one, 2-thia-4,9-diazatricyclo[9.4.0.0?,?]pentadeca-1(15),3,5,7,11,13-hexaen-10-one
| Molecular Formula | C12H8N2OS |
|---|---|
| Molecular Weight | 228.04 g/mol |
| LogP | 2.7985 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 228.03574 |
| Heavy Atoms | 16 |
| Complexity | 568.45013 |
Chemical Identifiers
| CAS Number | 106515-31-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)NC3=C(S2)N=CC=C3 |
Product Overview
pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one (CAS 106515-31-5), with molecular formula C12H8N2OS and molecular weight 228.04 g/mol. IUPAC: 5H-pyrido[2,3-b][1,4]benzothiazepin-6-one.
Chemical Property Profile of pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one
Property Insights of pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one
The XLogP value of 2.7985 suggests moderate lipophilicity, balancing water solubility and membrane permeability for pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one. With a topological polar surface area (TPSA) of 41.99 Ų, pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, pyrido[2,3-b][1,4]benzothiazepin-6(5H)-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 pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one?
The CAS number of pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one is 106515-31-5.
What is the molecular formula of pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one?
The molecular formula of pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one is C12H8N2OS.
What is the molecular weight of pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one?
The molecular weight of pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one is 228.04 g/mol.
Where can I buy pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one?
You can request a quote for pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.