![8-allyl-9-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one structure](/static/products/384/384368-04-1.png)
8-allyl-9-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one
TL;DR: 8-allyl-9-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one (CAS 384368-04-1) is a chemical compound with molecular formula C25H19ClN2O2S2 and molecular weight 478.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-13-prop-2-enyl-17-thia-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),14-hexaen-12-one
Also Known As: 8-allyl-9-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one, 9-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-8-(prop-2-en-1-yl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
| Molecular Formula | C25H19ClN2O2S2 |
|---|---|
| Molecular Weight | 478.06 g/mol |
| LogP | 6.038 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 478.05765 |
| Heavy Atoms | 32 |
| Complexity | 1420.6488 |
Chemical Identifiers
| CAS Number | 384368-04-1 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)C3=CC=C(C=C3)Cl)SC4=C2CCC5=CC=CC=C54 |
Product Overview
8-allyl-9-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one (CAS 384368-04-1), with molecular formula C25H19ClN2O2S2 and molecular weight 478.06 g/mol. IUPAC: 14-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-13-prop-2-enyl-17-thia-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),14-hexaen-12-one.
Chemical Property Profile of 8-allyl-9-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one
Property Insights of 8-allyl-9-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one
The XLogP value of 6.038 indicates that 8-allyl-9-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.96 Ų, 8-allyl-9-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-allyl-9-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-allyl-9-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one?
The CAS number of 8-allyl-9-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one is 384368-04-1.
What is the molecular formula of 8-allyl-9-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one?
The molecular formula of 8-allyl-9-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one is C25H19ClN2O2S2.
What is the molecular weight of 8-allyl-9-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one?
The molecular weight of 8-allyl-9-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one is 478.06 g/mol.
Where can I buy 8-allyl-9-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one?
You can request a quote for 8-allyl-9-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-allyl-9-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one?
Yes, KEHONG BIO provides custom synthesis services for 8-allyl-9-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.