![2-(1-(2-methylallyl)-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetic acid structure](/static/products/904/904005-69-2.png)
2-(1-(2-methylallyl)-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetic acid
TL;DR: 2-(1-(2-methylallyl)-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetic acid (CAS 904005-69-2) is a chemical compound with molecular formula C16H18N2O4S and molecular weight 334.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(2-methylprop-2-enyl)-2,4-dioxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]acetic acid
Also Known As: 2-(1-(2-methylallyl)-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetic acid, [1-(2-methylprop-2-en-1-yl)-2,4-dioxo-1,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-3(2H)-yl]acetic acid, 2-[1-(2-methylprop-2-enyl)-2,4-dioxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]acetic acid
| Molecular Formula | C16H18N2O4S |
|---|---|
| Molecular Weight | 334.10 g/mol |
| LogP | 1.7642 |
| Topological Polar Surface Area | 81.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.09872 |
| Heavy Atoms | 23 |
| Complexity | 932.174 |
Chemical Identifiers
| CAS Number | 904005-69-2 |
|---|---|
| SMILES | CC(=C)CN1C2=C(C3=C(S2)CCCC3)C(=O)N(C1=O)CC(=O)O |
Product Overview
2-(1-(2-methylallyl)-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetic acid (CAS 904005-69-2), with molecular formula C16H18N2O4S and molecular weight 334.10 g/mol. IUPAC: 2-[1-(2-methylprop-2-enyl)-2,4-dioxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]acetic acid.
Chemical Property Profile of 2-(1-(2-methylallyl)-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetic acid
Property Insights of 2-(1-(2-methylallyl)-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetic acid
The XLogP value of 1.7642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-(2-methylallyl)-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetic acid. The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-(2-methylallyl)-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetic acid. Following Lipinski's Rule of Five, 2-(1-(2-methylallyl)-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetic acid has 1 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 2-(1-(2-methylallyl)-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetic acid?
The CAS number of 2-(1-(2-methylallyl)-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetic acid is 904005-69-2.
What is the molecular formula of 2-(1-(2-methylallyl)-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetic acid?
The molecular formula of 2-(1-(2-methylallyl)-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetic acid is C16H18N2O4S.
What is the molecular weight of 2-(1-(2-methylallyl)-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetic acid?
The molecular weight of 2-(1-(2-methylallyl)-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetic acid is 334.10 g/mol.
Where can I buy 2-(1-(2-methylallyl)-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetic acid?
You can request a quote for 2-(1-(2-methylallyl)-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-(2-methylallyl)-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-(2-methylallyl)-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.