3-Amino-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
TL;DR: 3-Amino-2,3-dihydro-1,5-benzothiazepin-4(5H)-one (CAS 94590-63-3) is a chemical compound with molecular formula C9H10N2OS and molecular weight 194.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-3,5-dihydro-2H-1,5-benzothiazepin-4-one
Also Known As: 3-AMINO-2,3-DIHYDRO-1,5-BENZOTHIAZEPIN-4(5H)-ONE, 3,4,5-trifluoroacetophenone, 3-amino-3,5-dihydro-2H-1,5-benzothiazepin-4-one, NCI60_005006, J1.308.689C
| Molecular Formula | C9H10N2OS |
|---|---|
| Molecular Weight | 194.05 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.05139 |
| Heavy Atoms | 13 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 94590-63-3 |
|---|---|
| SMILES | C1C(C(=O)NC2=CC=CC=C2S1)N |
| InChIKey | CVTKHBONQJBXKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Amino-2,3-dihydro-1,5-benzothiazepin-4(5H)-one (CAS 94590-63-3), with molecular formula C9H10N2OS and molecular weight 194.05 g/mol. IUPAC: 3-amino-3,5-dihydro-2H-1,5-benzothiazepin-4-one.
Chemical Property Profile of 3-Amino-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Property Insights of 3-Amino-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-2,3-dihydro-1,5-benzothiazepin-4(5H)-one. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-2,3-dihydro-1,5-benzothiazepin-4(5H)-one. Following Lipinski's Rule of Five, 3-Amino-2,3-dihydro-1,5-benzothiazepin-4(5H)-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 3-Amino-2,3-dihydro-1,5-benzothiazepin-4(5H)-one?
The CAS number of 3-Amino-2,3-dihydro-1,5-benzothiazepin-4(5H)-one is 94590-63-3.
What is the molecular formula of 3-Amino-2,3-dihydro-1,5-benzothiazepin-4(5H)-one?
The molecular formula of 3-Amino-2,3-dihydro-1,5-benzothiazepin-4(5H)-one is C9H10N2OS.
What is the molecular weight of 3-Amino-2,3-dihydro-1,5-benzothiazepin-4(5H)-one?
The molecular weight of 3-Amino-2,3-dihydro-1,5-benzothiazepin-4(5H)-one is 194.05 g/mol.
Where can I buy 3-Amino-2,3-dihydro-1,5-benzothiazepin-4(5H)-one?
You can request a quote for 3-Amino-2,3-dihydro-1,5-benzothiazepin-4(5H)-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-2,3-dihydro-1,5-benzothiazepin-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-2,3-dihydro-1,5-benzothiazepin-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.