![3-allyl-5-(2-chlorophenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one structure](/static/products/3142/314261-29-5.webp)
3-allyl-5-(2-chlorophenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one
TL;DR: 3-allyl-5-(2-chlorophenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one (CAS 314261-29-5) is a chemical compound with molecular formula C15H11ClN2OS2 and molecular weight 334.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-chlorophenyl)-3-prop-2-enyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
Also Known As: ChemDiv1_008777, 3-allyl-5-(2-chlorophenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one, F0863-0355, AF-399/15031071, 5-(2-chlorophenyl)-3-prop-2-enyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C15H11ClN2OS2 |
|---|---|
| Molecular Weight | 334.00 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.00012 |
| Heavy Atoms | 21 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 314261-29-5 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(NC1=S)SC=C2C3=CC=CC=C3Cl |
| InChIKey | XTCDCDFBDIWCDJ-UHFFFAOYSA-N |
Product Overview
3-allyl-5-(2-chlorophenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one (CAS 314261-29-5), with molecular formula C15H11ClN2OS2 and molecular weight 334.00 g/mol. IUPAC: 5-(2-chlorophenyl)-3-prop-2-enyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 3-allyl-5-(2-chlorophenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one
Property Insights of 3-allyl-5-(2-chlorophenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one
The XLogP value of 4.1 indicates that 3-allyl-5-(2-chlorophenyl)-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. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-allyl-5-(2-chlorophenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 3-allyl-5-(2-chlorophenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one has 1 hydrogen bond donor(s) and 3 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-allyl-5-(2-chlorophenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one?
The CAS number of 3-allyl-5-(2-chlorophenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one is 314261-29-5.
What is the molecular formula of 3-allyl-5-(2-chlorophenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one?
The molecular formula of 3-allyl-5-(2-chlorophenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one is C15H11ClN2OS2.
What is the molecular weight of 3-allyl-5-(2-chlorophenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one?
The molecular weight of 3-allyl-5-(2-chlorophenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one is 334.00 g/mol.
Where can I buy 3-allyl-5-(2-chlorophenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one?
You can request a quote for 3-allyl-5-(2-chlorophenyl)-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-(2-chlorophenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-allyl-5-(2-chlorophenyl)-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.