![3-(4-Chlorophenyl)-7-methyl-2-(pentylamino)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/5282/5282-44-0.webp)
3-(4-Chlorophenyl)-7-methyl-2-(pentylamino)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 3-(4-Chlorophenyl)-7-methyl-2-(pentylamino)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 5282-44-0) is a chemical compound with molecular formula C21H25ClN4OS and molecular weight 416.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-11-methyl-5-(pentylamino)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: 3-(4-Chlorophenyl)-7-methyl-2-(pentylamino)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C21H25ClN4OS |
|---|---|
| Molecular Weight | 416.14 g/mol |
| LogP | 4.6906 |
| Topological Polar Surface Area | 50.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.14377 |
| Heavy Atoms | 28 |
| Complexity | 1041.2256 |
Chemical Identifiers
| CAS Number | 5282-44-0 |
|---|---|
| SMILES | CCCCCNC1=NC2=C(C3=C(S2)CN(CC3)C)C(=O)N1C4=CC=C(C=C4)Cl |
Product Overview
3-(4-Chlorophenyl)-7-methyl-2-(pentylamino)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 5282-44-0), with molecular formula C21H25ClN4OS and molecular weight 416.14 g/mol. IUPAC: 4-(4-chlorophenyl)-11-methyl-5-(pentylamino)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of 3-(4-Chlorophenyl)-7-methyl-2-(pentylamino)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 3-(4-Chlorophenyl)-7-methyl-2-(pentylamino)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 4.6906 indicates that 3-(4-Chlorophenyl)-7-methyl-2-(pentylamino)-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 50.16 Ų, 3-(4-Chlorophenyl)-7-methyl-2-(pentylamino)-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, 3-(4-Chlorophenyl)-7-methyl-2-(pentylamino)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one has 1 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 3-(4-Chlorophenyl)-7-methyl-2-(pentylamino)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 3-(4-Chlorophenyl)-7-methyl-2-(pentylamino)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 5282-44-0.
What is the molecular formula of 3-(4-Chlorophenyl)-7-methyl-2-(pentylamino)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 3-(4-Chlorophenyl)-7-methyl-2-(pentylamino)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is C21H25ClN4OS.
What is the molecular weight of 3-(4-Chlorophenyl)-7-methyl-2-(pentylamino)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 3-(4-Chlorophenyl)-7-methyl-2-(pentylamino)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 416.14 g/mol.
Where can I buy 3-(4-Chlorophenyl)-7-methyl-2-(pentylamino)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 3-(4-Chlorophenyl)-7-methyl-2-(pentylamino)-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 3-(4-Chlorophenyl)-7-methyl-2-(pentylamino)-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 3-(4-Chlorophenyl)-7-methyl-2-(pentylamino)-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.