8-Amino-10,11-dihydrodibenzo(b,e)1,4-thiazepin-11-one
TL;DR: 8-Amino-10,11-dihydrodibenzo(b,e)1,4-thiazepin-11-one (CAS 105554-89-0) is a chemical compound with molecular formula C13H10N2OS and molecular weight 242.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-5H-benzo[b][1,4]benzothiazepin-6-one
Also Known As: ADBTO, hexakis-nitryloxymethyl-benzene, 3-amino-5H-benzo[b][1,4]benzothiazepin-6-one, 8-Amino-10,11-dihydrodibenzo(b,e)1,4-thiazepin-11-one, 8-Aminodibenzo[b,f][1,4]thiazepin-11-ol
| Molecular Formula | C13H10N2OS |
|---|---|
| Molecular Weight | 242.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 242.05139 |
| Heavy Atoms | 17 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 105554-89-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)NC3=C(S2)C=CC(=C3)N |
| InChIKey | QMOTTXDANOXDPK-UHFFFAOYSA-N |
Product Overview
8-Amino-10,11-dihydrodibenzo(b,e)1,4-thiazepin-11-one (CAS 105554-89-0), with molecular formula C13H10N2OS and molecular weight 242.05 g/mol. IUPAC: 3-amino-5H-benzo[b][1,4]benzothiazepin-6-one.
Chemical Property Profile of 8-Amino-10,11-dihydrodibenzo(b,e)1,4-thiazepin-11-one
Property Insights of 8-Amino-10,11-dihydrodibenzo(b,e)1,4-thiazepin-11-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Amino-10,11-dihydrodibenzo(b,e)1,4-thiazepin-11-one. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Amino-10,11-dihydrodibenzo(b,e)1,4-thiazepin-11-one. Following Lipinski's Rule of Five, 8-Amino-10,11-dihydrodibenzo(b,e)1,4-thiazepin-11-one has 2 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 8-Amino-10,11-dihydrodibenzo(b,e)1,4-thiazepin-11-one?
The CAS number of 8-Amino-10,11-dihydrodibenzo(b,e)1,4-thiazepin-11-one is 105554-89-0.
What is the molecular formula of 8-Amino-10,11-dihydrodibenzo(b,e)1,4-thiazepin-11-one?
The molecular formula of 8-Amino-10,11-dihydrodibenzo(b,e)1,4-thiazepin-11-one is C13H10N2OS.
What is the molecular weight of 8-Amino-10,11-dihydrodibenzo(b,e)1,4-thiazepin-11-one?
The molecular weight of 8-Amino-10,11-dihydrodibenzo(b,e)1,4-thiazepin-11-one is 242.05 g/mol.
Where can I buy 8-Amino-10,11-dihydrodibenzo(b,e)1,4-thiazepin-11-one?
You can request a quote for 8-Amino-10,11-dihydrodibenzo(b,e)1,4-thiazepin-11-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Amino-10,11-dihydrodibenzo(b,e)1,4-thiazepin-11-one?
Yes, KEHONG BIO provides custom synthesis services for 8-Amino-10,11-dihydrodibenzo(b,e)1,4-thiazepin-11-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.