![2-{4-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]butyl}-1H-isoindole-1,3(2H)-dione structure](/static/products/351/351007-55-1.png)
2-{4-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]butyl}-1H-isoindole-1,3(2H)-dione
TL;DR: 2-{4-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]butyl}-1H-isoindole-1,3(2H)-dione (CAS 351007-55-1) is a chemical compound with molecular formula C22H22N4O2S2 and molecular weight 438.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]butyl]isoindole-1,3-dione
Also Known As: 2-{4-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]butyl}-1H-isoindole-1,3(2H)-dione, 2-(4-((4-amino-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)butyl)isoindoline-1,3-dione, 2-[4-[(4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]butyl]isoindole-1,3-dione
| Molecular Formula | C22H22N4O2S2 |
|---|---|
| Molecular Weight | 438.12 g/mol |
| LogP | 4.3208 |
| Topological Polar Surface Area | 89.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.1184 |
| Heavy Atoms | 30 |
| Complexity | 1122.4902 |
Chemical Identifiers
| CAS Number | 351007-55-1 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(N=C(N=C3S2)SCCCCN4C(=O)C5=CC=CC=C5C4=O)N |
Product Overview
2-{4-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]butyl}-1H-isoindole-1,3(2H)-dione (CAS 351007-55-1), with molecular formula C22H22N4O2S2 and molecular weight 438.12 g/mol. IUPAC: 2-[4-[(4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]butyl]isoindole-1,3-dione.
Chemical Property Profile of 2-{4-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]butyl}-1H-isoindole-1,3(2H)-dione
Property Insights of 2-{4-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]butyl}-1H-isoindole-1,3(2H)-dione
The XLogP value of 4.3208 indicates that 2-{4-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]butyl}-1H-isoindole-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{4-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]butyl}-1H-isoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-{4-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]butyl}-1H-isoindole-1,3(2H)-dione has 1 hydrogen bond donor(s) and 7 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-{4-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]butyl}-1H-isoindole-1,3(2H)-dione?
The CAS number of 2-{4-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]butyl}-1H-isoindole-1,3(2H)-dione is 351007-55-1.
What is the molecular formula of 2-{4-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]butyl}-1H-isoindole-1,3(2H)-dione?
The molecular formula of 2-{4-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]butyl}-1H-isoindole-1,3(2H)-dione is C22H22N4O2S2.
What is the molecular weight of 2-{4-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]butyl}-1H-isoindole-1,3(2H)-dione?
The molecular weight of 2-{4-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]butyl}-1H-isoindole-1,3(2H)-dione is 438.12 g/mol.
Where can I buy 2-{4-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]butyl}-1H-isoindole-1,3(2H)-dione?
You can request a quote for 2-{4-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]butyl}-1H-isoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{4-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]butyl}-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-{4-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]butyl}-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.