![2-(bis(2-hydroxypropyl)amino)-3-(3-chlorophenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/846/846584-93-8.png)
2-(bis(2-hydroxypropyl)amino)-3-(3-chlorophenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 2-(bis(2-hydroxypropyl)amino)-3-(3-chlorophenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 846584-93-8) is a chemical compound with molecular formula C22H27ClN4O3S and molecular weight 462.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[bis(2-hydroxypropyl)amino]-4-(3-chlorophenyl)-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: 2-(bis(2-hydroxypropyl)amino)-3-(3-chlorophenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 2-[bis(2-hydroxypropyl)amino]-3-(3-chlorophenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C22H27ClN4O3S |
|---|---|
| Molecular Weight | 462.15 g/mol |
| LogP | 2.6565 |
| Topological Polar Surface Area | 81.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.14923 |
| Heavy Atoms | 31 |
| Complexity | 1147.5989 |
Chemical Identifiers
| CAS Number | 846584-93-8 |
|---|---|
| SMILES | CC(CN(CC(C)O)C1=NC2=C(C3=C(S2)CN(CC3)C)C(=O)N1C4=CC(=CC=C4)Cl)O |
Product Overview
2-(bis(2-hydroxypropyl)amino)-3-(3-chlorophenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 846584-93-8), with molecular formula C22H27ClN4O3S and molecular weight 462.15 g/mol. IUPAC: 5-[bis(2-hydroxypropyl)amino]-4-(3-chlorophenyl)-11-methyl-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-(bis(2-hydroxypropyl)amino)-3-(3-chlorophenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 2-(bis(2-hydroxypropyl)amino)-3-(3-chlorophenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 2.6565 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(bis(2-hydroxypropyl)amino)-3-(3-chlorophenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one. The TPSA of 81.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(bis(2-hydroxypropyl)amino)-3-(3-chlorophenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 2-(bis(2-hydroxypropyl)amino)-3-(3-chlorophenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one has 2 hydrogen bond donor(s) and 7 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-(bis(2-hydroxypropyl)amino)-3-(3-chlorophenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 2-(bis(2-hydroxypropyl)amino)-3-(3-chlorophenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 846584-93-8.
What is the molecular formula of 2-(bis(2-hydroxypropyl)amino)-3-(3-chlorophenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 2-(bis(2-hydroxypropyl)amino)-3-(3-chlorophenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is C22H27ClN4O3S.
What is the molecular weight of 2-(bis(2-hydroxypropyl)amino)-3-(3-chlorophenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 2-(bis(2-hydroxypropyl)amino)-3-(3-chlorophenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 462.15 g/mol.
Where can I buy 2-(bis(2-hydroxypropyl)amino)-3-(3-chlorophenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 2-(bis(2-hydroxypropyl)amino)-3-(3-chlorophenyl)-7-methyl-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-(bis(2-hydroxypropyl)amino)-3-(3-chlorophenyl)-7-methyl-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-(bis(2-hydroxypropyl)amino)-3-(3-chlorophenyl)-7-methyl-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.