3-chloro-5-(phenylamino)-4H-1,2,6-thiadiazin-4-one
TL;DR: 3-chloro-5-(phenylamino)-4H-1,2,6-thiadiazin-4-one (CAS 54865-04-2) is a chemical compound with molecular formula C9H6ClN3OS and molecular weight 238.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-anilino-5-chloro-1,2,6-thiadiazin-4-one
Also Known As: 3-anilino-5-chloro-1,2,6-thiadiazin-4-one, 3-chloro-5-(phenylamino)-4H-1,2,6-thiadiazin-4-one
| Molecular Formula | C9H6ClN3OS |
|---|---|
| Molecular Weight | 238.99 g/mol |
| LogP | 2.2953 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.992 |
| Heavy Atoms | 15 |
| Complexity | 514.2659 |
Chemical Identifiers
| CAS Number | 54865-04-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=NSN=C(C2=O)Cl |
Product Overview
3-chloro-5-(phenylamino)-4H-1,2,6-thiadiazin-4-one (CAS 54865-04-2), with molecular formula C9H6ClN3OS and molecular weight 238.99 g/mol. IUPAC: 3-anilino-5-chloro-1,2,6-thiadiazin-4-one.
Chemical Property Profile of 3-chloro-5-(phenylamino)-4H-1,2,6-thiadiazin-4-one
Property Insights of 3-chloro-5-(phenylamino)-4H-1,2,6-thiadiazin-4-one
The XLogP value of 2.2953 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-chloro-5-(phenylamino)-4H-1,2,6-thiadiazin-4-one. With a topological polar surface area (TPSA) of 54.88 Ų, 3-chloro-5-(phenylamino)-4H-1,2,6-thiadiazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-5-(phenylamino)-4H-1,2,6-thiadiazin-4-one has 1 hydrogen bond donor(s) and 5 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-chloro-5-(phenylamino)-4H-1,2,6-thiadiazin-4-one?
The CAS number of 3-chloro-5-(phenylamino)-4H-1,2,6-thiadiazin-4-one is 54865-04-2.
What is the molecular formula of 3-chloro-5-(phenylamino)-4H-1,2,6-thiadiazin-4-one?
The molecular formula of 3-chloro-5-(phenylamino)-4H-1,2,6-thiadiazin-4-one is C9H6ClN3OS.
What is the molecular weight of 3-chloro-5-(phenylamino)-4H-1,2,6-thiadiazin-4-one?
The molecular weight of 3-chloro-5-(phenylamino)-4H-1,2,6-thiadiazin-4-one is 238.99 g/mol.
Where can I buy 3-chloro-5-(phenylamino)-4H-1,2,6-thiadiazin-4-one?
You can request a quote for 3-chloro-5-(phenylamino)-4H-1,2,6-thiadiazin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-5-(phenylamino)-4H-1,2,6-thiadiazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-5-(phenylamino)-4H-1,2,6-thiadiazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.