![N-(2-butyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)-2-(4-chloro-2-methylphenoxy)acetamide structure](/static/products/372/372176-08-4.png)
N-(2-butyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)-2-(4-chloro-2-methylphenoxy)acetamide
TL;DR: N-(2-butyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)-2-(4-chloro-2-methylphenoxy)acetamide (CAS 372176-08-4) is a chemical compound with molecular formula C24H28ClN3O4S and molecular weight 489.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-butyl-12,12-dimethyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-4-yl)-2-(4-chloro-2-methylphenoxy)acetamide
Also Known As: N-(2-butyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)-2-(4-chloro-2-methylphenoxy)acetamide, N-(2-butyl-6,6-dimethyl-4-oxo-5,8-dihydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(6H)-yl)-2-(4-chloro-2-methylphenoxy)acetamide
| Molecular Formula | C24H28ClN3O4S |
|---|---|
| Molecular Weight | 489.15 g/mol |
| LogP | 4.76282 |
| Topological Polar Surface Area | 82.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 489.1489 |
| Heavy Atoms | 33 |
| Complexity | 1264.8083 |
Chemical Identifiers
| CAS Number | 372176-08-4 |
|---|---|
| SMILES | CCCCC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1NC(=O)COC4=C(C=C(C=C4)Cl)C |
Product Overview
N-(2-butyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)-2-(4-chloro-2-methylphenoxy)acetamide (CAS 372176-08-4), with molecular formula C24H28ClN3O4S and molecular weight 489.15 g/mol. IUPAC: N-(5-butyl-12,12-dimethyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-4-yl)-2-(4-chloro-2-methylphenoxy)acetamide.
Chemical Property Profile of N-(2-butyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)-2-(4-chloro-2-methylphenoxy)acetamide
Property Insights of N-(2-butyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)-2-(4-chloro-2-methylphenoxy)acetamide
The XLogP value of 4.76282 indicates that N-(2-butyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)-2-(4-chloro-2-methylphenoxy)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.45 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-butyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)-2-(4-chloro-2-methylphenoxy)acetamide. Following Lipinski's Rule of Five, N-(2-butyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)-2-(4-chloro-2-methylphenoxy)acetamide has 1 hydrogen bond donor(s) and 6 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 N-(2-butyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)-2-(4-chloro-2-methylphenoxy)acetamide?
The CAS number of N-(2-butyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)-2-(4-chloro-2-methylphenoxy)acetamide is 372176-08-4.
What is the molecular formula of N-(2-butyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)-2-(4-chloro-2-methylphenoxy)acetamide?
The molecular formula of N-(2-butyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)-2-(4-chloro-2-methylphenoxy)acetamide is C24H28ClN3O4S.
What is the molecular weight of N-(2-butyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)-2-(4-chloro-2-methylphenoxy)acetamide?
The molecular weight of N-(2-butyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)-2-(4-chloro-2-methylphenoxy)acetamide is 489.15 g/mol.
Where can I buy N-(2-butyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)-2-(4-chloro-2-methylphenoxy)acetamide?
You can request a quote for N-(2-butyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)-2-(4-chloro-2-methylphenoxy)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-butyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)-2-(4-chloro-2-methylphenoxy)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-butyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)-2-(4-chloro-2-methylphenoxy)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.