![[1]Benzothieno[2,3-d]pyrimidine-3(4H)-propanenitrile, 5,6,7,8-tetrahydro-4-oxo- structure](/static/products/4027/40277-48-3.webp)
[1]Benzothieno[2,3-d]pyrimidine-3(4H)-propanenitrile, 5,6,7,8-tetrahydro-4-oxo-
TL;DR: [1]Benzothieno[2,3-d]pyrimidine-3(4H)-propanenitrile, 5,6,7,8-tetrahydro-4-oxo- (CAS 40277-48-3) is a chemical compound with molecular formula C13H13N3OS and molecular weight 259.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)propanenitrile
Also Known As: UPCMLD0ENAT5678479:001, [1]Benzothieno[2,3-d]pyrimidine-3(4H)-propanenitrile, 5,6,7,8-tetrahydro-4-oxo-, 3-(4-oxo-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-3-yl)propanenit rile, 3-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)propanenitrile, 3-(4-Oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)propanenitrile
| Molecular Formula | C13H13N3OS |
|---|---|
| Molecular Weight | 259.08 g/mol |
| LogP | 2.25048 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.07794 |
| Heavy Atoms | 18 |
| Complexity | 692.54987 |
Chemical Identifiers
| CAS Number | 40277-48-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=CN(C3=O)CCC#N |
Product Overview
[1]Benzothieno[2,3-d]pyrimidine-3(4H)-propanenitrile, 5,6,7,8-tetrahydro-4-oxo- (CAS 40277-48-3), with molecular formula C13H13N3OS and molecular weight 259.08 g/mol. IUPAC: 3-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)propanenitrile.
Chemical Property Profile of [1]Benzothieno[2,3-d]pyrimidine-3(4H)-propanenitrile, 5,6,7,8-tetrahydro-4-oxo-
Property Insights of [1]Benzothieno[2,3-d]pyrimidine-3(4H)-propanenitrile, 5,6,7,8-tetrahydro-4-oxo-
The XLogP value of 2.25048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [1]Benzothieno[2,3-d]pyrimidine-3(4H)-propanenitrile, 5,6,7,8-tetrahydro-4-oxo-. With a topological polar surface area (TPSA) of 58.68 Ų, [1]Benzothieno[2,3-d]pyrimidine-3(4H)-propanenitrile, 5,6,7,8-tetrahydro-4-oxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [1]Benzothieno[2,3-d]pyrimidine-3(4H)-propanenitrile, 5,6,7,8-tetrahydro-4-oxo- has 0 hydrogen bond donor(s) and 4 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 [1]Benzothieno[2,3-d]pyrimidine-3(4H)-propanenitrile, 5,6,7,8-tetrahydro-4-oxo-?
The CAS number of [1]Benzothieno[2,3-d]pyrimidine-3(4H)-propanenitrile, 5,6,7,8-tetrahydro-4-oxo- is 40277-48-3.
What is the molecular formula of [1]Benzothieno[2,3-d]pyrimidine-3(4H)-propanenitrile, 5,6,7,8-tetrahydro-4-oxo-?
The molecular formula of [1]Benzothieno[2,3-d]pyrimidine-3(4H)-propanenitrile, 5,6,7,8-tetrahydro-4-oxo- is C13H13N3OS.
What is the molecular weight of [1]Benzothieno[2,3-d]pyrimidine-3(4H)-propanenitrile, 5,6,7,8-tetrahydro-4-oxo-?
The molecular weight of [1]Benzothieno[2,3-d]pyrimidine-3(4H)-propanenitrile, 5,6,7,8-tetrahydro-4-oxo- is 259.08 g/mol.
Where can I buy [1]Benzothieno[2,3-d]pyrimidine-3(4H)-propanenitrile, 5,6,7,8-tetrahydro-4-oxo-?
You can request a quote for [1]Benzothieno[2,3-d]pyrimidine-3(4H)-propanenitrile, 5,6,7,8-tetrahydro-4-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1]Benzothieno[2,3-d]pyrimidine-3(4H)-propanenitrile, 5,6,7,8-tetrahydro-4-oxo-?
Yes, KEHONG BIO provides custom synthesis services for [1]Benzothieno[2,3-d]pyrimidine-3(4H)-propanenitrile, 5,6,7,8-tetrahydro-4-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.