![2-[(Dimethylamino)methyl]-5,6,7,8-tetrahydro-4-oxo[1]benzothieno[2,3-d]pyrimidine-3(4H)-acetonitrile structure](/static/products/7753/775315-00-9.webp)
2-[(Dimethylamino)methyl]-5,6,7,8-tetrahydro-4-oxo[1]benzothieno[2,3-d]pyrimidine-3(4H)-acetonitrile
TL;DR: 2-[(Dimethylamino)methyl]-5,6,7,8-tetrahydro-4-oxo[1]benzothieno[2,3-d]pyrimidine-3(4H)-acetonitrile (CAS 775315-00-9) is a chemical compound with molecular formula C15H18N4OS and molecular weight 302.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(dimethylamino)methyl]-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]acetonitrile
Also Known As: 2-[(Dimethylamino)methyl]-5,6,7,8-tetrahydro-4-oxo[1]benzothieno[2,3-d]pyrimidine-3(4H)-acetonitrile, {2-[(Dimethylamino)methyl]-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl}acetonitrile, 2-[2-(dimethylaminomethyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]acetonitrile
| Molecular Formula | C15H18N4OS |
|---|---|
| Molecular Weight | 302.12 g/mol |
| LogP | 1.92198 |
| Topological Polar Surface Area | 61.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.12012 |
| Heavy Atoms | 21 |
| Complexity | 781.53827 |
Chemical Identifiers
| CAS Number | 775315-00-9 |
|---|---|
| SMILES | CN(C)CC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1CC#N |
Product Overview
2-[(Dimethylamino)methyl]-5,6,7,8-tetrahydro-4-oxo[1]benzothieno[2,3-d]pyrimidine-3(4H)-acetonitrile (CAS 775315-00-9), with molecular formula C15H18N4OS and molecular weight 302.12 g/mol. IUPAC: 2-[2-[(dimethylamino)methyl]-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]acetonitrile.
Chemical Property Profile of 2-[(Dimethylamino)methyl]-5,6,7,8-tetrahydro-4-oxo[1]benzothieno[2,3-d]pyrimidine-3(4H)-acetonitrile
Property Insights of 2-[(Dimethylamino)methyl]-5,6,7,8-tetrahydro-4-oxo[1]benzothieno[2,3-d]pyrimidine-3(4H)-acetonitrile
The XLogP value of 1.92198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(Dimethylamino)methyl]-5,6,7,8-tetrahydro-4-oxo[1]benzothieno[2,3-d]pyrimidine-3(4H)-acetonitrile. The TPSA of 61.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(Dimethylamino)methyl]-5,6,7,8-tetrahydro-4-oxo[1]benzothieno[2,3-d]pyrimidine-3(4H)-acetonitrile. Following Lipinski's Rule of Five, 2-[(Dimethylamino)methyl]-5,6,7,8-tetrahydro-4-oxo[1]benzothieno[2,3-d]pyrimidine-3(4H)-acetonitrile 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 2-[(Dimethylamino)methyl]-5,6,7,8-tetrahydro-4-oxo[1]benzothieno[2,3-d]pyrimidine-3(4H)-acetonitrile?
The CAS number of 2-[(Dimethylamino)methyl]-5,6,7,8-tetrahydro-4-oxo[1]benzothieno[2,3-d]pyrimidine-3(4H)-acetonitrile is 775315-00-9.
What is the molecular formula of 2-[(Dimethylamino)methyl]-5,6,7,8-tetrahydro-4-oxo[1]benzothieno[2,3-d]pyrimidine-3(4H)-acetonitrile?
The molecular formula of 2-[(Dimethylamino)methyl]-5,6,7,8-tetrahydro-4-oxo[1]benzothieno[2,3-d]pyrimidine-3(4H)-acetonitrile is C15H18N4OS.
What is the molecular weight of 2-[(Dimethylamino)methyl]-5,6,7,8-tetrahydro-4-oxo[1]benzothieno[2,3-d]pyrimidine-3(4H)-acetonitrile?
The molecular weight of 2-[(Dimethylamino)methyl]-5,6,7,8-tetrahydro-4-oxo[1]benzothieno[2,3-d]pyrimidine-3(4H)-acetonitrile is 302.12 g/mol.
Where can I buy 2-[(Dimethylamino)methyl]-5,6,7,8-tetrahydro-4-oxo[1]benzothieno[2,3-d]pyrimidine-3(4H)-acetonitrile?
You can request a quote for 2-[(Dimethylamino)methyl]-5,6,7,8-tetrahydro-4-oxo[1]benzothieno[2,3-d]pyrimidine-3(4H)-acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(Dimethylamino)methyl]-5,6,7,8-tetrahydro-4-oxo[1]benzothieno[2,3-d]pyrimidine-3(4H)-acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Dimethylamino)methyl]-5,6,7,8-tetrahydro-4-oxo[1]benzothieno[2,3-d]pyrimidine-3(4H)-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.