Dibenzo(b,f)(1,4)thiazepin-11-amine
TL;DR: Dibenzo(b,f)(1,4)thiazepin-11-amine (CAS 5786-26-5) is a chemical compound with molecular formula C13H10N2S and molecular weight 226.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzo[b][1,4]benzothiazepin-6-amine
Also Known As: dibenzo[b,f][1,4]thiazepin-11-amine, Quetiapine EP Impurity U, Quetiapine Impurity U, benzo[b][1,4]benzothiazepin-6-amine, Quetiapine fumarate impurity U
| Molecular Formula | C13H10N2S |
|---|---|
| Molecular Weight | 226.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 226.05647 |
| Heavy Atoms | 16 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 5786-26-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NC3=CC=CC=C3S2)N |
| InChIKey | HTGHLKRKXHUWOW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibenzo(b,f)(1,4)thiazepin-11-amine (CAS 5786-26-5), with molecular formula C13H10N2S and molecular weight 226.06 g/mol. IUPAC: benzo[b][1,4]benzothiazepin-6-amine.
Chemical Property Profile of Dibenzo(b,f)(1,4)thiazepin-11-amine
Property Insights of Dibenzo(b,f)(1,4)thiazepin-11-amine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibenzo(b,f)(1,4)thiazepin-11-amine. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibenzo(b,f)(1,4)thiazepin-11-amine. Following Lipinski's Rule of Five, Dibenzo(b,f)(1,4)thiazepin-11-amine has 1 hydrogen bond donor(s) and 2 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 Dibenzo(b,f)(1,4)thiazepin-11-amine?
The CAS number of Dibenzo(b,f)(1,4)thiazepin-11-amine is 5786-26-5.
What is the molecular formula of Dibenzo(b,f)(1,4)thiazepin-11-amine?
The molecular formula of Dibenzo(b,f)(1,4)thiazepin-11-amine is C13H10N2S.
What is the molecular weight of Dibenzo(b,f)(1,4)thiazepin-11-amine?
The molecular weight of Dibenzo(b,f)(1,4)thiazepin-11-amine is 226.06 g/mol.
Where can I buy Dibenzo(b,f)(1,4)thiazepin-11-amine?
You can request a quote for Dibenzo(b,f)(1,4)thiazepin-11-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzo(b,f)(1,4)thiazepin-11-amine?
Yes, KEHONG BIO provides custom synthesis services for Dibenzo(b,f)(1,4)thiazepin-11-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.