![3-allyl-5-(4-phenoxyphenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one structure](/static/products/3156/315693-80-2.webp)
3-allyl-5-(4-phenoxyphenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one
TL;DR: 3-allyl-5-(4-phenoxyphenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one (CAS 315693-80-2) is a chemical compound with molecular formula C21H16N2O2S2 and molecular weight 392.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-phenoxyphenyl)-3-prop-2-enyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
Also Known As: UPCMLD0ENAT0504-8537:001, 3-allyl-5-(4-phenoxyphenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one, AF-399/15128582, F0863-0488, 5-(4-phenoxyphenyl)-3-prop-2-enyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C21H16N2O2S2 |
|---|---|
| Molecular Weight | 392.07 g/mol |
| LogP | 5.76589 |
| Topological Polar Surface Area | 47.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.0653 |
| Heavy Atoms | 27 |
| Complexity | 1219.2593 |
Chemical Identifiers
| CAS Number | 315693-80-2 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(NC1=S)SC=C2C3=CC=C(C=C3)OC4=CC=CC=C4 |
Product Overview
3-allyl-5-(4-phenoxyphenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one (CAS 315693-80-2), with molecular formula C21H16N2O2S2 and molecular weight 392.07 g/mol. IUPAC: 5-(4-phenoxyphenyl)-3-prop-2-enyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 3-allyl-5-(4-phenoxyphenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one
Property Insights of 3-allyl-5-(4-phenoxyphenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one
The XLogP value of 5.76589 indicates that 3-allyl-5-(4-phenoxyphenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.02 Ų, 3-allyl-5-(4-phenoxyphenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-allyl-5-(4-phenoxyphenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-allyl-5-(4-phenoxyphenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one?
The CAS number of 3-allyl-5-(4-phenoxyphenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one is 315693-80-2.
What is the molecular formula of 3-allyl-5-(4-phenoxyphenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one?
The molecular formula of 3-allyl-5-(4-phenoxyphenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one is C21H16N2O2S2.
What is the molecular weight of 3-allyl-5-(4-phenoxyphenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one?
The molecular weight of 3-allyl-5-(4-phenoxyphenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one is 392.07 g/mol.
Where can I buy 3-allyl-5-(4-phenoxyphenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one?
You can request a quote for 3-allyl-5-(4-phenoxyphenyl)-2-thioxo-2,3-dihydrothieno[2,3-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-allyl-5-(4-phenoxyphenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-allyl-5-(4-phenoxyphenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.