ChemDiv3_009697
TL;DR: ChemDiv3_009697 (CAS 896089-84-2) is a chemical compound with molecular formula C21H19N3OS and molecular weight 361.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-6-oxo-8-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Also Known As: ChemDiv3_009697, IDI1_027607, 3-benzyl-6-oxo-8-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 3-benzyl-6-oxo-8-phenyl-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 3-benzyl-6-oxo-8-phenyl-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
| Molecular Formula | C21H19N3OS |
|---|---|
| Molecular Weight | 361.12 g/mol |
| LogP | 3.90168 |
| Topological Polar Surface Area | 47.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 361.12488 |
| Heavy Atoms | 26 |
| Complexity | 873.13416 |
Chemical Identifiers
| CAS Number | 896089-84-2 |
|---|---|
| SMILES | C1C(C(=C2N(C1=O)CN(CS2)CC3=CC=CC=C3)C#N)C4=CC=CC=C4 |
Product Overview
ChemDiv3_009697 (CAS 896089-84-2), with molecular formula C21H19N3OS and molecular weight 361.12 g/mol. IUPAC: 3-benzyl-6-oxo-8-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile.
Chemical Property Profile of ChemDiv3_009697
Property Insights of ChemDiv3_009697
The XLogP value of 3.90168 indicates that ChemDiv3_009697 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.34 Ų, ChemDiv3_009697 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_009697 has 0 hydrogen bond donor(s) and 4 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 ChemDiv3_009697?
The CAS number of ChemDiv3_009697 is 896089-84-2.
What is the molecular formula of ChemDiv3_009697?
The molecular formula of ChemDiv3_009697 is C21H19N3OS.
What is the molecular weight of ChemDiv3_009697?
The molecular weight of ChemDiv3_009697 is 361.12 g/mol.
Where can I buy ChemDiv3_009697?
You can request a quote for ChemDiv3_009697 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_009697?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_009697 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.