![[3-[[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)phenyl]carbamoyl]phenyl] acetate structure](/static/products/442/442566-87-2.png)
[3-[[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)phenyl]carbamoyl]phenyl] acetate
TL;DR: [3-[[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)phenyl]carbamoyl]phenyl] acetate (CAS 442566-87-2) is a chemical compound with molecular formula C25H21N3O3S2 and molecular weight 475.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)phenyl]carbamoyl]phenyl] acetate
Also Known As: [3-[[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)phenyl]carbamoyl]phenyl] acetate, 3-((2-((5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)phenyl)carbamoyl)phenyl acetate, 3-{[2-(5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4-YLSULFANYL)ANILINO]CARBONYL}PHENYL ACETATE, 3-{[2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)phenyl]carbamoyl}phenyl acetate
| Molecular Formula | C25H21N3O3S2 |
|---|---|
| Molecular Weight | 475.10 g/mol |
| LogP | 5.8989 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 475.10245 |
| Heavy Atoms | 33 |
| Complexity | 1366.2784 |
Chemical Identifiers
| CAS Number | 442566-87-2 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2SC3=NC=NC4=C3C5=C(S4)CCCC5 |
Product Overview
[3-[[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)phenyl]carbamoyl]phenyl] acetate (CAS 442566-87-2), with molecular formula C25H21N3O3S2 and molecular weight 475.10 g/mol. IUPAC: [3-[[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)phenyl]carbamoyl]phenyl] acetate.
Chemical Property Profile of [3-[[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)phenyl]carbamoyl]phenyl] acetate
Property Insights of [3-[[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)phenyl]carbamoyl]phenyl] acetate
The XLogP value of 5.8989 indicates that [3-[[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)phenyl]carbamoyl]phenyl] acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for [3-[[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)phenyl]carbamoyl]phenyl] acetate. Following Lipinski's Rule of Five, [3-[[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)phenyl]carbamoyl]phenyl] acetate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [3-[[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)phenyl]carbamoyl]phenyl] acetate?
The CAS number of [3-[[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)phenyl]carbamoyl]phenyl] acetate is 442566-87-2.
What is the molecular formula of [3-[[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)phenyl]carbamoyl]phenyl] acetate?
The molecular formula of [3-[[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)phenyl]carbamoyl]phenyl] acetate is C25H21N3O3S2.
What is the molecular weight of [3-[[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)phenyl]carbamoyl]phenyl] acetate?
The molecular weight of [3-[[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)phenyl]carbamoyl]phenyl] acetate is 475.10 g/mol.
Where can I buy [3-[[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)phenyl]carbamoyl]phenyl] acetate?
You can request a quote for [3-[[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)phenyl]carbamoyl]phenyl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-[[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)phenyl]carbamoyl]phenyl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [3-[[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)phenyl]carbamoyl]phenyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.