![2-(5-bromo-2-hydroxy-3-methylphenyl)-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol structure](/static/products/498/498536-07-5.png)
2-(5-bromo-2-hydroxy-3-methylphenyl)-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol
TL;DR: 2-(5-bromo-2-hydroxy-3-methylphenyl)-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol (CAS 498536-07-5) is a chemical compound with molecular formula C17H18BrN3O2S and molecular weight 407.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(5-bromo-2-hydroxy-3-methylphenyl)-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
Also Known As: 2-(5-bromo-2-hydroxy-3-methylphenyl)-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol, 2-(5-bromo-2-hydroxy-3-methylphenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
| Molecular Formula | C17H18BrN3O2S |
|---|---|
| Molecular Weight | 407.03 g/mol |
| LogP | 3.36662 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 407.0303 |
| Heavy Atoms | 24 |
| Complexity | 848.84656 |
Chemical Identifiers
| CAS Number | 498536-07-5 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)C2NC3=C(C4=C(S3)CN(CC4)C)C(=O)N2)Br |
Product Overview
2-(5-bromo-2-hydroxy-3-methylphenyl)-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol (CAS 498536-07-5), with molecular formula C17H18BrN3O2S and molecular weight 407.03 g/mol. IUPAC: 5-(5-bromo-2-hydroxy-3-methylphenyl)-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one.
Chemical Property Profile of 2-(5-bromo-2-hydroxy-3-methylphenyl)-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol
Property Insights of 2-(5-bromo-2-hydroxy-3-methylphenyl)-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol
The XLogP value of 3.36662 indicates that 2-(5-bromo-2-hydroxy-3-methylphenyl)-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-bromo-2-hydroxy-3-methylphenyl)-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol. Following Lipinski's Rule of Five, 2-(5-bromo-2-hydroxy-3-methylphenyl)-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol has 3 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 2-(5-bromo-2-hydroxy-3-methylphenyl)-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol?
The CAS number of 2-(5-bromo-2-hydroxy-3-methylphenyl)-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol is 498536-07-5.
What is the molecular formula of 2-(5-bromo-2-hydroxy-3-methylphenyl)-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol?
The molecular formula of 2-(5-bromo-2-hydroxy-3-methylphenyl)-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol is C17H18BrN3O2S.
What is the molecular weight of 2-(5-bromo-2-hydroxy-3-methylphenyl)-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol?
The molecular weight of 2-(5-bromo-2-hydroxy-3-methylphenyl)-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol is 407.03 g/mol.
Where can I buy 2-(5-bromo-2-hydroxy-3-methylphenyl)-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol?
You can request a quote for 2-(5-bromo-2-hydroxy-3-methylphenyl)-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-bromo-2-hydroxy-3-methylphenyl)-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-bromo-2-hydroxy-3-methylphenyl)-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.