![2-((3-allyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-bromophenyl)acetamide structure](/static/products/839/839700-06-0.png)
2-((3-allyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-bromophenyl)acetamide
TL;DR: 2-((3-allyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-bromophenyl)acetamide (CAS 839700-06-0) is a chemical compound with molecular formula C22H22BrN3O2S3 and molecular weight 535.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-2-[(12,12-dimethyl-3-oxo-4-prop-2-enyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetamide
Also Known As: 2-((3-allyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-bromophenyl)acetamide, N-(4-bromophenyl)-2-{[6,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
| Molecular Formula | C22H22BrN3O2S3 |
|---|---|
| Molecular Weight | 535.01 g/mol |
| LogP | 5.7052 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 535.00574 |
| Heavy Atoms | 31 |
| Complexity | 1215.4496 |
Chemical Identifiers
| CAS Number | 839700-06-0 |
|---|---|
| SMILES | CC1(CC2=C(CS1)SC3=C2C(=O)N(C(=N3)SCC(=O)NC4=CC=C(C=C4)Br)CC=C)C |
Product Overview
2-((3-allyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-bromophenyl)acetamide (CAS 839700-06-0), with molecular formula C22H22BrN3O2S3 and molecular weight 535.01 g/mol. IUPAC: N-(4-bromophenyl)-2-[(12,12-dimethyl-3-oxo-4-prop-2-enyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetamide.
Chemical Property Profile of 2-((3-allyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-bromophenyl)acetamide
Property Insights of 2-((3-allyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-bromophenyl)acetamide
The XLogP value of 5.7052 indicates that 2-((3-allyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-bromophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-allyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-bromophenyl)acetamide. Following Lipinski's Rule of Five, 2-((3-allyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-bromophenyl)acetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((3-allyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-bromophenyl)acetamide?
The CAS number of 2-((3-allyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-bromophenyl)acetamide is 839700-06-0.
What is the molecular formula of 2-((3-allyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-bromophenyl)acetamide?
The molecular formula of 2-((3-allyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-bromophenyl)acetamide is C22H22BrN3O2S3.
What is the molecular weight of 2-((3-allyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-bromophenyl)acetamide?
The molecular weight of 2-((3-allyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-bromophenyl)acetamide is 535.01 g/mol.
Where can I buy 2-((3-allyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-bromophenyl)acetamide?
You can request a quote for 2-((3-allyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-bromophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-allyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-bromophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-allyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-bromophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.