![3-[(E)-[4-(dimethylamino)-2-methylphenyl]methylideneamino]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one structure](/static/products/330/330560-49-1.png)
3-[(E)-[4-(dimethylamino)-2-methylphenyl]methylideneamino]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
TL;DR: 3-[(E)-[4-(dimethylamino)-2-methylphenyl]methylideneamino]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one (CAS 330560-49-1) is a chemical compound with molecular formula C21H24N4OS and molecular weight 380.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-[4-(dimethylamino)-2-methylphenyl]methylideneamino]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 3-[(E)-[4-(dimethylamino)-2-methylphenyl]methylideneamino]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 3-{[4-(dimethylamino)-2-methylbenzylidene]amino}-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C21H24N4OS |
|---|---|
| Molecular Weight | 380.17 g/mol |
| LogP | 3.90184 |
| Topological Polar Surface Area | 50.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.16708 |
| Heavy Atoms | 27 |
| Complexity | 1107.5476 |
Chemical Identifiers
| CAS Number | 330560-49-1 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N(C)C)/C=N/N2C(=NC3=C(C2=O)C4=C(S3)CCCC4)C |
Product Overview
3-[(E)-[4-(dimethylamino)-2-methylphenyl]methylideneamino]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one (CAS 330560-49-1), with molecular formula C21H24N4OS and molecular weight 380.17 g/mol. IUPAC: 3-[(E)-[4-(dimethylamino)-2-methylphenyl]methylideneamino]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 3-[(E)-[4-(dimethylamino)-2-methylphenyl]methylideneamino]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Property Insights of 3-[(E)-[4-(dimethylamino)-2-methylphenyl]methylideneamino]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
The XLogP value of 3.90184 indicates that 3-[(E)-[4-(dimethylamino)-2-methylphenyl]methylideneamino]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.49 Ų, 3-[(E)-[4-(dimethylamino)-2-methylphenyl]methylideneamino]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(E)-[4-(dimethylamino)-2-methylphenyl]methylideneamino]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one has 0 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-[(E)-[4-(dimethylamino)-2-methylphenyl]methylideneamino]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one?
The CAS number of 3-[(E)-[4-(dimethylamino)-2-methylphenyl]methylideneamino]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is 330560-49-1.
What is the molecular formula of 3-[(E)-[4-(dimethylamino)-2-methylphenyl]methylideneamino]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one?
The molecular formula of 3-[(E)-[4-(dimethylamino)-2-methylphenyl]methylideneamino]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is C21H24N4OS.
What is the molecular weight of 3-[(E)-[4-(dimethylamino)-2-methylphenyl]methylideneamino]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one?
The molecular weight of 3-[(E)-[4-(dimethylamino)-2-methylphenyl]methylideneamino]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is 380.17 g/mol.
Where can I buy 3-[(E)-[4-(dimethylamino)-2-methylphenyl]methylideneamino]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one?
You can request a quote for 3-[(E)-[4-(dimethylamino)-2-methylphenyl]methylideneamino]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-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-[(E)-[4-(dimethylamino)-2-methylphenyl]methylideneamino]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(E)-[4-(dimethylamino)-2-methylphenyl]methylideneamino]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.