2-amino-4-phenyl-6H,7H-1,3,4-thiadiazepin-5-one
TL;DR: 2-amino-4-phenyl-6H,7H-1,3,4-thiadiazepin-5-one (CAS 61541-97-7) is a chemical compound with molecular formula C10H11N3OS and molecular weight 221.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-phenyl-6,7-dihydro-1,3,4-thiadiazepin-5-one
Also Known As: 2-Methylhept-4-in, Sid 768796, 1,3,4-Thiadiazepin-5(4H)-one, 2-amino-6,7-dihydro-4-phenyl-, 2-Imino-4-phenyl-1,3,4-thiadiazepan-5-one, 2-Amino-4-phenyl-6H,7H-1,3,4-thiadiazepin-5-one
| Molecular Formula | C10H11N3OS |
|---|---|
| Molecular Weight | 221.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 84.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.06229 |
| Heavy Atoms | 15 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 61541-97-7 |
|---|---|
| SMILES | C1CSC(=NN(C1=O)C2=CC=CC=C2)N |
| InChIKey | KCJXSZJBGJBTHY-UHFFFAOYSA-N |
Product Overview
2-amino-4-phenyl-6H,7H-1,3,4-thiadiazepin-5-one (CAS 61541-97-7), with molecular formula C10H11N3OS and molecular weight 221.06 g/mol. IUPAC: 2-amino-4-phenyl-6,7-dihydro-1,3,4-thiadiazepin-5-one.
Chemical Property Profile of 2-amino-4-phenyl-6H,7H-1,3,4-thiadiazepin-5-one
Property Insights of 2-amino-4-phenyl-6H,7H-1,3,4-thiadiazepin-5-one
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-amino-4-phenyl-6H,7H-1,3,4-thiadiazepin-5-one. The TPSA of 84.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-4-phenyl-6H,7H-1,3,4-thiadiazepin-5-one. Following Lipinski's Rule of Five, 2-amino-4-phenyl-6H,7H-1,3,4-thiadiazepin-5-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 2-amino-4-phenyl-6H,7H-1,3,4-thiadiazepin-5-one?
The CAS number of 2-amino-4-phenyl-6H,7H-1,3,4-thiadiazepin-5-one is 61541-97-7.
What is the molecular formula of 2-amino-4-phenyl-6H,7H-1,3,4-thiadiazepin-5-one?
The molecular formula of 2-amino-4-phenyl-6H,7H-1,3,4-thiadiazepin-5-one is C10H11N3OS.
What is the molecular weight of 2-amino-4-phenyl-6H,7H-1,3,4-thiadiazepin-5-one?
The molecular weight of 2-amino-4-phenyl-6H,7H-1,3,4-thiadiazepin-5-one is 221.06 g/mol.
Where can I buy 2-amino-4-phenyl-6H,7H-1,3,4-thiadiazepin-5-one?
You can request a quote for 2-amino-4-phenyl-6H,7H-1,3,4-thiadiazepin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-amino-4-phenyl-6H,7H-1,3,4-thiadiazepin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-4-phenyl-6H,7H-1,3,4-thiadiazepin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.