![3-(1,3-benzodioxol-5-ylmethyl)-2-thioxo-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one structure](/static/products/4514/451468-89-6.webp)
3-(1,3-benzodioxol-5-ylmethyl)-2-thioxo-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one
TL;DR: 3-(1,3-benzodioxol-5-ylmethyl)-2-thioxo-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one (CAS 451468-89-6) is a chemical compound with molecular formula C14H10N2O3S2 and molecular weight 318.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one
Also Known As: 3-(1,3-benzodioxol-5-ylmethyl)-2-thioxo-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one, 3-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one, 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-sulfanylidene-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-4-one, 3-(Benzo[d][1,3]dioxol-5-ylmethyl)-2-thioxo-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one, 3-(1,3-benzodioxol-5-ylmethyl)-2-thioxo-1H-thieno[3,2-d]pyrimidin-4-one
| Molecular Formula | C14H10N2O3S2 |
|---|---|
| Molecular Weight | 318.01 g/mol |
| LogP | 2.89759 |
| Topological Polar Surface Area | 56.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.01328 |
| Heavy Atoms | 21 |
| Complexity | 954.7429 |
Chemical Identifiers
| CAS Number | 451468-89-6 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(C=CS4)NC3=S |
Product Overview
3-(1,3-benzodioxol-5-ylmethyl)-2-thioxo-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one (CAS 451468-89-6), with molecular formula C14H10N2O3S2 and molecular weight 318.01 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one.
Chemical Property Profile of 3-(1,3-benzodioxol-5-ylmethyl)-2-thioxo-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one
Property Insights of 3-(1,3-benzodioxol-5-ylmethyl)-2-thioxo-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one
The XLogP value of 2.89759 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-benzodioxol-5-ylmethyl)-2-thioxo-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one. With a topological polar surface area (TPSA) of 56.25 Ų, 3-(1,3-benzodioxol-5-ylmethyl)-2-thioxo-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-benzodioxol-5-ylmethyl)-2-thioxo-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one has 1 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 3-(1,3-benzodioxol-5-ylmethyl)-2-thioxo-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one?
The CAS number of 3-(1,3-benzodioxol-5-ylmethyl)-2-thioxo-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one is 451468-89-6.
What is the molecular formula of 3-(1,3-benzodioxol-5-ylmethyl)-2-thioxo-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one?
The molecular formula of 3-(1,3-benzodioxol-5-ylmethyl)-2-thioxo-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one is C14H10N2O3S2.
What is the molecular weight of 3-(1,3-benzodioxol-5-ylmethyl)-2-thioxo-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one?
The molecular weight of 3-(1,3-benzodioxol-5-ylmethyl)-2-thioxo-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one is 318.01 g/mol.
Where can I buy 3-(1,3-benzodioxol-5-ylmethyl)-2-thioxo-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one?
You can request a quote for 3-(1,3-benzodioxol-5-ylmethyl)-2-thioxo-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-benzodioxol-5-ylmethyl)-2-thioxo-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzodioxol-5-ylmethyl)-2-thioxo-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.