![2-(1-isopentyl-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/904/904008-62-4.png)
2-(1-isopentyl-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-isopentyl-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetic acid (CAS 904008-62-4) is a chemical compound with molecular formula C17H22N2O4S and molecular weight 350.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(3-methylbutyl)-2,4-dioxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]acetic acid
Also Known As: 2-(1-isopentyl-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetic acid, [1-(3-methylbutyl)-2,4-dioxo-1,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-3(2H)-yl]acetic acid, 2-[1-(3-methylbutyl)-2,4-dioxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]acetic acid
| Molecular Formula | C17H22N2O4S |
|---|---|
| Molecular Weight | 350.13 g/mol |
| LogP | 2.2342 |
| Topological Polar Surface Area | 81.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.13004 |
| Heavy Atoms | 24 |
| Complexity | 903.922 |
Chemical Identifiers
| CAS Number | 904008-62-4 |
|---|---|
| SMILES | CC(C)CCN1C2=C(C3=C(S2)CCCC3)C(=O)N(C1=O)CC(=O)O |
Product Overview
2-(1-isopentyl-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetic acid (CAS 904008-62-4), with molecular formula C17H22N2O4S and molecular weight 350.13 g/mol. IUPAC: 2-[1-(3-methylbutyl)-2,4-dioxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]acetic acid.
Chemical Property Profile of 2-(1-isopentyl-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-isopentyl-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 2.2342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-isopentyl-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-isopentyl-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-isopentyl-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-isopentyl-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-isopentyl-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetic acid is 904008-62-4.
What is the molecular formula of 2-(1-isopentyl-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-isopentyl-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetic acid is C17H22N2O4S.
What is the molecular weight of 2-(1-isopentyl-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-isopentyl-2,4-dioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetic acid is 350.13 g/mol.
Where can I buy 2-(1-isopentyl-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-isopentyl-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-isopentyl-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-isopentyl-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.