![3-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one structure](/static/products/5669/5669-22-7.webp)
3-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
TL;DR: 3-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one (CAS 5669-22-7) is a chemical compound with molecular formula C20H20BrN3O3S and molecular weight 461.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 3-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 3-[(3-bromo-4-ethoxy-5-methoxybenzylidene)amino]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-{(E)-[(3-Bromo-4-ethoxy-5-methoxyphenyl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C20H20BrN3O3S |
|---|---|
| Molecular Weight | 461.04 g/mol |
| LogP | 4.3888 |
| Topological Polar Surface Area | 65.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 461.0409 |
| Heavy Atoms | 28 |
| Complexity | 1120.0619 |
Chemical Identifiers
| CAS Number | 5669-22-7 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1Br)/C=N/N2C=NC3=C(C2=O)C4=C(S3)CCCC4)OC |
Product Overview
3-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one (CAS 5669-22-7), with molecular formula C20H20BrN3O3S and molecular weight 461.04 g/mol. IUPAC: 3-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 3-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Property Insights of 3-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
The XLogP value of 4.3888 indicates that 3-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-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. The TPSA of 65.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one. Following Lipinski's Rule of Five, 3-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one has 0 hydrogen bond donor(s) and 6 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)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one?
The CAS number of 3-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is 5669-22-7.
What is the molecular formula of 3-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one?
The molecular formula of 3-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is C20H20BrN3O3S.
What is the molecular weight of 3-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one?
The molecular weight of 3-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is 461.04 g/mol.
Where can I buy 3-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one?
You can request a quote for 3-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-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)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-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.