![2-{[(4-Chlorophenyl)methyl]sulfanyl}-3,7-dimethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/5271/5271-92-1.webp)
2-{[(4-Chlorophenyl)methyl]sulfanyl}-3,7-dimethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 2-{[(4-Chlorophenyl)methyl]sulfanyl}-3,7-dimethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 5271-92-1) is a chemical compound with molecular formula C18H18ClN3OS2 and molecular weight 391.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chlorophenyl)methylsulfanyl]-4,11-dimethyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: 2-{[(4-Chlorophenyl)methyl]sulfanyl}-3,7-dimethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C18H18ClN3OS2 |
|---|---|
| Molecular Weight | 391.06 g/mol |
| LogP | 3.9286 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.05798 |
| Heavy Atoms | 25 |
| Complexity | 994.2092 |
Chemical Identifiers
| CAS Number | 5271-92-1 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC4=CC=C(C=C4)Cl)C |
Product Overview
2-{[(4-Chlorophenyl)methyl]sulfanyl}-3,7-dimethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 5271-92-1), with molecular formula C18H18ClN3OS2 and molecular weight 391.06 g/mol. IUPAC: 5-[(4-chlorophenyl)methylsulfanyl]-4,11-dimethyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of 2-{[(4-Chlorophenyl)methyl]sulfanyl}-3,7-dimethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 2-{[(4-Chlorophenyl)methyl]sulfanyl}-3,7-dimethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 3.9286 indicates that 2-{[(4-Chlorophenyl)methyl]sulfanyl}-3,7-dimethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.13 Ų, 2-{[(4-Chlorophenyl)methyl]sulfanyl}-3,7-dimethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[(4-Chlorophenyl)methyl]sulfanyl}-3,7-dimethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one has 0 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-{[(4-Chlorophenyl)methyl]sulfanyl}-3,7-dimethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 2-{[(4-Chlorophenyl)methyl]sulfanyl}-3,7-dimethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 5271-92-1.
What is the molecular formula of 2-{[(4-Chlorophenyl)methyl]sulfanyl}-3,7-dimethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 2-{[(4-Chlorophenyl)methyl]sulfanyl}-3,7-dimethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is C18H18ClN3OS2.
What is the molecular weight of 2-{[(4-Chlorophenyl)methyl]sulfanyl}-3,7-dimethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 2-{[(4-Chlorophenyl)methyl]sulfanyl}-3,7-dimethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 391.06 g/mol.
Where can I buy 2-{[(4-Chlorophenyl)methyl]sulfanyl}-3,7-dimethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 2-{[(4-Chlorophenyl)methyl]sulfanyl}-3,7-dimethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(4-Chlorophenyl)methyl]sulfanyl}-3,7-dimethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(4-Chlorophenyl)methyl]sulfanyl}-3,7-dimethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.