![2-(4-bromophenyl)-6,6-dimethyl-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one structure](/static/products/843/843617-05-0.png)
2-(4-bromophenyl)-6,6-dimethyl-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
TL;DR: 2-(4-bromophenyl)-6,6-dimethyl-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one (CAS 843617-05-0) is a chemical compound with molecular formula C17H17BrN2O2S and molecular weight 392.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-bromophenyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
Also Known As: 2-(4-bromophenyl)-6,6-dimethyl-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 2-(4-bromophenyl)-6,6-dimethyl-2,3,5,6-tetrahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
| Molecular Formula | C17H17BrN2O2S |
|---|---|
| Molecular Weight | 392.02 g/mol |
| LogP | 4.216 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 392.0194 |
| Heavy Atoms | 23 |
| Complexity | 782.6362 |
Chemical Identifiers
| CAS Number | 843617-05-0 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)NC(N3)C4=CC=C(C=C4)Br)C |
Product Overview
2-(4-bromophenyl)-6,6-dimethyl-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one (CAS 843617-05-0), with molecular formula C17H17BrN2O2S and molecular weight 392.02 g/mol. IUPAC: 5-(4-bromophenyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one.
Chemical Property Profile of 2-(4-bromophenyl)-6,6-dimethyl-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Property Insights of 2-(4-bromophenyl)-6,6-dimethyl-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
The XLogP value of 4.216 indicates that 2-(4-bromophenyl)-6,6-dimethyl-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, 2-(4-bromophenyl)-6,6-dimethyl-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-bromophenyl)-6,6-dimethyl-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one has 2 hydrogen bond donor(s) and 4 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-bromophenyl)-6,6-dimethyl-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one?
The CAS number of 2-(4-bromophenyl)-6,6-dimethyl-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one is 843617-05-0.
What is the molecular formula of 2-(4-bromophenyl)-6,6-dimethyl-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one?
The molecular formula of 2-(4-bromophenyl)-6,6-dimethyl-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one is C17H17BrN2O2S.
What is the molecular weight of 2-(4-bromophenyl)-6,6-dimethyl-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one?
The molecular weight of 2-(4-bromophenyl)-6,6-dimethyl-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one is 392.02 g/mol.
Where can I buy 2-(4-bromophenyl)-6,6-dimethyl-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one?
You can request a quote for 2-(4-bromophenyl)-6,6-dimethyl-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-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-bromophenyl)-6,6-dimethyl-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-bromophenyl)-6,6-dimethyl-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.