ChemDiv3_002938
TL;DR: ChemDiv3_002938 (CAS 440091-04-3) is a chemical compound with molecular formula C17H22N4O3S and molecular weight 362.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(dimethylamino)phenyl]-3'-methylspiro[1,3-dioxane-5,7'-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine]-6'-one
Also Known As: ChemDiv3_002938, BAS 03335186, 2-[4-(dimethylamino)phenyl]-3'-methyl-3',4'-dihydro-2'H-spiro[1,3-dioxane-5,7'-[1,3]thiazolo[3,2-a][1,3,5]triazin]-6'-one, 2-(4-(dimethylamino)phenyl)-3'-methyl-3',4'-dihydrospiro[[1,3]dioxane-5,7'-thiazolo[3,2-a][1,3,5]triazin]-6'(2'H)-one, 2-(4-dimethylaminophenyl)-3'-methylspiro[1,3-dioxane-5,7'-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine]-6'-one
| Molecular Formula | C17H22N4O3S |
|---|---|
| Molecular Weight | 362.14 g/mol |
| LogP | 1.3286 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 362.14127 |
| Heavy Atoms | 25 |
| Complexity | 698.3494 |
Chemical Identifiers
| CAS Number | 440091-04-3 |
|---|---|
| SMILES | CN1CN=C2N(C1)C(=O)C3(S2)COC(OC3)C4=CC=C(C=C4)N(C)C |
Product Overview
ChemDiv3_002938 (CAS 440091-04-3), with molecular formula C17H22N4O3S and molecular weight 362.14 g/mol. IUPAC: 2-[4-(dimethylamino)phenyl]-3'-methylspiro[1,3-dioxane-5,7'-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine]-6'-one.
Chemical Property Profile of ChemDiv3_002938
Property Insights of ChemDiv3_002938
The XLogP value of 1.3286 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_002938. With a topological polar surface area (TPSA) of 57.61 Ų, ChemDiv3_002938 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_002938 has 0 hydrogen bond donor(s) and 7 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_002938?
The CAS number of ChemDiv3_002938 is 440091-04-3.
What is the molecular formula of ChemDiv3_002938?
The molecular formula of ChemDiv3_002938 is C17H22N4O3S.
What is the molecular weight of ChemDiv3_002938?
The molecular weight of ChemDiv3_002938 is 362.14 g/mol.
Where can I buy ChemDiv3_002938?
You can request a quote for ChemDiv3_002938 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_002938?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_002938 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.