![9-((3-chlorobut-2-en-1-yl)thio)-8-(2-methylallyl)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one structure](/static/products/497/497075-74-8.png)
9-((3-chlorobut-2-en-1-yl)thio)-8-(2-methylallyl)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one
TL;DR: 9-((3-chlorobut-2-en-1-yl)thio)-8-(2-methylallyl)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one (CAS 497075-74-8) is a chemical compound with molecular formula C22H21ClN2OS2 and molecular weight 428.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-(3-chlorobut-2-enylsulfanyl)-13-(2-methylprop-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: 9-((3-chlorobut-2-en-1-yl)thio)-8-(2-methylallyl)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one
| Molecular Formula | C22H21ClN2OS2 |
|---|---|
| Molecular Weight | 428.08 g/mol |
| LogP | 6.0344 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.07837 |
| Heavy Atoms | 28 |
| Complexity | 1169.2289 |
Chemical Identifiers
| CAS Number | 497075-74-8 |
|---|---|
| SMILES | CC(=C)CN1C(=O)C2=C(N=C1SCC=C(C)Cl)SC3=C2CCC4=CC=CC=C43 |
Product Overview
9-((3-chlorobut-2-en-1-yl)thio)-8-(2-methylallyl)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one (CAS 497075-74-8), with molecular formula C22H21ClN2OS2 and molecular weight 428.08 g/mol. IUPAC: 14-(3-chlorobut-2-enylsulfanyl)-13-(2-methylprop-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 9-((3-chlorobut-2-en-1-yl)thio)-8-(2-methylallyl)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one
Property Insights of 9-((3-chlorobut-2-en-1-yl)thio)-8-(2-methylallyl)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one
The XLogP value of 6.0344 indicates that 9-((3-chlorobut-2-en-1-yl)thio)-8-(2-methylallyl)-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 34.89 Ų, 9-((3-chlorobut-2-en-1-yl)thio)-8-(2-methylallyl)-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, 9-((3-chlorobut-2-en-1-yl)thio)-8-(2-methylallyl)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one has 0 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 9-((3-chlorobut-2-en-1-yl)thio)-8-(2-methylallyl)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one?
The CAS number of 9-((3-chlorobut-2-en-1-yl)thio)-8-(2-methylallyl)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one is 497075-74-8.
What is the molecular formula of 9-((3-chlorobut-2-en-1-yl)thio)-8-(2-methylallyl)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one?
The molecular formula of 9-((3-chlorobut-2-en-1-yl)thio)-8-(2-methylallyl)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one is C22H21ClN2OS2.
What is the molecular weight of 9-((3-chlorobut-2-en-1-yl)thio)-8-(2-methylallyl)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one?
The molecular weight of 9-((3-chlorobut-2-en-1-yl)thio)-8-(2-methylallyl)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one is 428.08 g/mol.
Where can I buy 9-((3-chlorobut-2-en-1-yl)thio)-8-(2-methylallyl)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one?
You can request a quote for 9-((3-chlorobut-2-en-1-yl)thio)-8-(2-methylallyl)-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 9-((3-chlorobut-2-en-1-yl)thio)-8-(2-methylallyl)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-one?
Yes, KEHONG BIO provides custom synthesis services for 9-((3-chlorobut-2-en-1-yl)thio)-8-(2-methylallyl)-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.