![4-[(2-bromophenoxy)methyl]-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)benzamide structure](/static/products/4382/438227-91-9.webp)
4-[(2-bromophenoxy)methyl]-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)benzamide
TL;DR: 4-[(2-bromophenoxy)methyl]-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)benzamide (CAS 438227-91-9) is a chemical compound with molecular formula C25H22BrN3O3S and molecular weight 523.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-bromophenoxy)methyl]-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)benzamide
Also Known As: 4-[(2-bromophenoxy)methyl]-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)benzamide, 4-[(2-bromophenoxy)methyl]-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)benzamide, 4-[(2-BROMOPHENOXY)METHYL]-N-[2-METHYL-4-OXO-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-3(4H)-YL]BENZAMIDE
| Molecular Formula | C25H22BrN3O3S |
|---|---|
| Molecular Weight | 523.06 g/mol |
| LogP | 5.37062 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 523.0565 |
| Heavy Atoms | 33 |
| Complexity | 1409.1824 |
Chemical Identifiers
| CAS Number | 438227-91-9 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1NC(=O)C4=CC=C(C=C4)COC5=CC=CC=C5Br |
Product Overview
4-[(2-bromophenoxy)methyl]-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)benzamide (CAS 438227-91-9), with molecular formula C25H22BrN3O3S and molecular weight 523.06 g/mol. IUPAC: 4-[(2-bromophenoxy)methyl]-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)benzamide.
Chemical Property Profile of 4-[(2-bromophenoxy)methyl]-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)benzamide
Property Insights of 4-[(2-bromophenoxy)methyl]-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)benzamide
The XLogP value of 5.37062 indicates that 4-[(2-bromophenoxy)methyl]-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2-bromophenoxy)methyl]-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)benzamide. Following Lipinski's Rule of Five, 4-[(2-bromophenoxy)methyl]-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)benzamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[(2-bromophenoxy)methyl]-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)benzamide?
The CAS number of 4-[(2-bromophenoxy)methyl]-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)benzamide is 438227-91-9.
What is the molecular formula of 4-[(2-bromophenoxy)methyl]-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)benzamide?
The molecular formula of 4-[(2-bromophenoxy)methyl]-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)benzamide is C25H22BrN3O3S.
What is the molecular weight of 4-[(2-bromophenoxy)methyl]-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)benzamide?
The molecular weight of 4-[(2-bromophenoxy)methyl]-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)benzamide is 523.06 g/mol.
Where can I buy 4-[(2-bromophenoxy)methyl]-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)benzamide?
You can request a quote for 4-[(2-bromophenoxy)methyl]-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2-bromophenoxy)methyl]-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-bromophenoxy)methyl]-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.