![2-[5-(3-chloro-4-methylphenyl)-2-furyl]-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one structure](/static/products/3534/353463-02-2.webp)
2-[5-(3-chloro-4-methylphenyl)-2-furyl]-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
TL;DR: 2-[5-(3-chloro-4-methylphenyl)-2-furyl]-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one (CAS 353463-02-2) is a chemical compound with molecular formula C21H20ClN3O2S and molecular weight 413.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
Also Known As: 2-[5-(3-chloro-4-methylphenyl)-2-furyl]-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one, 2-[5-(3-chloro-4-methylphenyl)furan-2-yl]-7-methyl-1,2,3,5,6,8-hexahydropyrido[2,3]thieno[2,4-d]pyrimidin-4-one, 5-[5-(3-Chloro-4-methylphenyl)furan-2-yl]-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one, 2-(5-(3-chloro-4-methylphenyl)furan-2-yl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one, 2-[5-(3-Chloro-4-methyl-phenyl)-furan-2-yl]-7-methyl-2,3,5,6,7,8-hexahydro-1H-pyrido[4',3':4,5]thieno[2, 3-d]pyrimidin-4-one
| Molecular Formula | C21H20ClN3O2S |
|---|---|
| Molecular Weight | 413.10 g/mol |
| LogP | 4.81192 |
| Topological Polar Surface Area | 57.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 413.09647 |
| Heavy Atoms | 28 |
| Complexity | 1087.5089 |
Chemical Identifiers
| CAS Number | 353463-02-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=CC=C(O2)C3NC4=C(C5=C(S4)CN(CC5)C)C(=O)N3)Cl |
Product Overview
2-[5-(3-chloro-4-methylphenyl)-2-furyl]-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one (CAS 353463-02-2), with molecular formula C21H20ClN3O2S and molecular weight 413.10 g/mol. IUPAC: 5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one.
Chemical Property Profile of 2-[5-(3-chloro-4-methylphenyl)-2-furyl]-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
Property Insights of 2-[5-(3-chloro-4-methylphenyl)-2-furyl]-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
The XLogP value of 4.81192 indicates that 2-[5-(3-chloro-4-methylphenyl)-2-furyl]-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[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 57.51 Ų, 2-[5-(3-chloro-4-methylphenyl)-2-furyl]-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[5-(3-chloro-4-methylphenyl)-2-furyl]-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one has 2 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 2-[5-(3-chloro-4-methylphenyl)-2-furyl]-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one?
The CAS number of 2-[5-(3-chloro-4-methylphenyl)-2-furyl]-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one is 353463-02-2.
What is the molecular formula of 2-[5-(3-chloro-4-methylphenyl)-2-furyl]-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one?
The molecular formula of 2-[5-(3-chloro-4-methylphenyl)-2-furyl]-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one is C21H20ClN3O2S.
What is the molecular weight of 2-[5-(3-chloro-4-methylphenyl)-2-furyl]-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one?
The molecular weight of 2-[5-(3-chloro-4-methylphenyl)-2-furyl]-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one is 413.10 g/mol.
Where can I buy 2-[5-(3-chloro-4-methylphenyl)-2-furyl]-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one?
You can request a quote for 2-[5-(3-chloro-4-methylphenyl)-2-furyl]-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[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 2-[5-(3-chloro-4-methylphenyl)-2-furyl]-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-(3-chloro-4-methylphenyl)-2-furyl]-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.