![propan-2-yl (5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetate structure](/static/products/4462/446280-56-4.webp)
propan-2-yl (5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetate
TL;DR: propan-2-yl (5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetate (CAS 446280-56-4) is a chemical compound with molecular formula C15H18N2O2S2 and molecular weight 322.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetate
Also Known As: propan-2-yl (5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetate, isopropyl 2-((5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetate, methylethyl 2-(5,6,7,8-tetrahydrobenzo[b]thiopheno[3,2-e]pyrimidin-4-ylthio)ac etate, propan-2-yl 2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetate, propan-2-yl 2-{8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-ylsulfanyl}acetate
| Molecular Formula | C15H18N2O2S2 |
|---|---|
| Molecular Weight | 322.08 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.08096 |
| Heavy Atoms | 21 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 446280-56-4 |
|---|---|
| SMILES | CC(C)OC(=O)CSC1=NC=NC2=C1C3=C(S2)CCCC3 |
| InChIKey | AKIZTWQWTUMPAP-UHFFFAOYSA-N |
Product Overview
propan-2-yl (5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetate (CAS 446280-56-4), with molecular formula C15H18N2O2S2 and molecular weight 322.08 g/mol. IUPAC: propan-2-yl 2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetate.
Chemical Property Profile of propan-2-yl (5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetate
Property Insights of propan-2-yl (5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetate
The XLogP value of 4.3 indicates that propan-2-yl (5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for propan-2-yl (5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetate. Following Lipinski's Rule of Five, propan-2-yl (5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetate 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 propan-2-yl (5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetate?
The CAS number of propan-2-yl (5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetate is 446280-56-4.
What is the molecular formula of propan-2-yl (5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetate?
The molecular formula of propan-2-yl (5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetate is C15H18N2O2S2.
What is the molecular weight of propan-2-yl (5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetate?
The molecular weight of propan-2-yl (5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetate is 322.08 g/mol.
Where can I buy propan-2-yl (5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetate?
You can request a quote for propan-2-yl (5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for propan-2-yl (5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for propan-2-yl (5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.