![3-(3-chlorophenyl)-6,6-dimethyl-1-(2-oxo-2-phenylethyl)-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione structure](/static/products/577/577997-81-0.png)
3-(3-chlorophenyl)-6,6-dimethyl-1-(2-oxo-2-phenylethyl)-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
TL;DR: 3-(3-chlorophenyl)-6,6-dimethyl-1-(2-oxo-2-phenylethyl)-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione (CAS 577997-81-0) is a chemical compound with molecular formula C25H21ClN2O4S and molecular weight 480.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chlorophenyl)-12,12-dimethyl-6-phenacyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-3,5-dione
Also Known As: 3-(3-chlorophenyl)-6,6-dimethyl-1-(2-oxo-2-phenylethyl)-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione, 3-(3-chlorophenyl)-6,6-dimethyl-1-(2-oxo-2-phenylethyl)-5,6-dihydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H,8H)-dione
| Molecular Formula | C25H21ClN2O4S |
|---|---|
| Molecular Weight | 480.09 g/mol |
| LogP | 4.6015 |
| Topological Polar Surface Area | 70.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 480.09106 |
| Heavy Atoms | 33 |
| Complexity | 1515.4347 |
Chemical Identifiers
| CAS Number | 577997-81-0 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=O)N3CC(=O)C4=CC=CC=C4)C5=CC(=CC=C5)Cl)C |
Product Overview
3-(3-chlorophenyl)-6,6-dimethyl-1-(2-oxo-2-phenylethyl)-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione (CAS 577997-81-0), with molecular formula C25H21ClN2O4S and molecular weight 480.09 g/mol. IUPAC: 4-(3-chlorophenyl)-12,12-dimethyl-6-phenacyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-3,5-dione.
Chemical Property Profile of 3-(3-chlorophenyl)-6,6-dimethyl-1-(2-oxo-2-phenylethyl)-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Property Insights of 3-(3-chlorophenyl)-6,6-dimethyl-1-(2-oxo-2-phenylethyl)-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
The XLogP value of 4.6015 indicates that 3-(3-chlorophenyl)-6,6-dimethyl-1-(2-oxo-2-phenylethyl)-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-chlorophenyl)-6,6-dimethyl-1-(2-oxo-2-phenylethyl)-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione. Following Lipinski's Rule of Five, 3-(3-chlorophenyl)-6,6-dimethyl-1-(2-oxo-2-phenylethyl)-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione 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 3-(3-chlorophenyl)-6,6-dimethyl-1-(2-oxo-2-phenylethyl)-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione?
The CAS number of 3-(3-chlorophenyl)-6,6-dimethyl-1-(2-oxo-2-phenylethyl)-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione is 577997-81-0.
What is the molecular formula of 3-(3-chlorophenyl)-6,6-dimethyl-1-(2-oxo-2-phenylethyl)-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione?
The molecular formula of 3-(3-chlorophenyl)-6,6-dimethyl-1-(2-oxo-2-phenylethyl)-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione is C25H21ClN2O4S.
What is the molecular weight of 3-(3-chlorophenyl)-6,6-dimethyl-1-(2-oxo-2-phenylethyl)-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione?
The molecular weight of 3-(3-chlorophenyl)-6,6-dimethyl-1-(2-oxo-2-phenylethyl)-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione is 480.09 g/mol.
Where can I buy 3-(3-chlorophenyl)-6,6-dimethyl-1-(2-oxo-2-phenylethyl)-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione?
You can request a quote for 3-(3-chlorophenyl)-6,6-dimethyl-1-(2-oxo-2-phenylethyl)-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-chlorophenyl)-6,6-dimethyl-1-(2-oxo-2-phenylethyl)-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-chlorophenyl)-6,6-dimethyl-1-(2-oxo-2-phenylethyl)-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.