C19H18BrN3OS2
TL;DR: C19H18BrN3OS2 (CAS 332950-23-9) is a chemical compound with molecular formula C19H18BrN3OS2 and molecular weight 447.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromo-4-methylphenyl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetamide
Also Known As: BAS 02054066, N-(2-bromo-4-methylphenyl)-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetamide, N-(2-bromo-4-methylphenyl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetamide, N-(2-bromo-4-methylphenyl)-2-((5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide, N-(2-bromo-4-methylphenyl)-2-(5,6,7,8-tetrahydrobenzo[b]thiopheno[3,2-e]pyrimi din-4-ylthio)acetamide
| Molecular Formula | C19H18BrN3OS2 |
|---|---|
| Molecular Weight | 447.01 g/mol |
| LogP | 5.37182 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 447.00748 |
| Heavy Atoms | 26 |
| Complexity | 986.3198 |
Chemical Identifiers
| CAS Number | 332950-23-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)CSC2=NC=NC3=C2C4=C(S3)CCCC4)Br |
Product Overview
C19H18BrN3OS2 (CAS 332950-23-9), with molecular formula C19H18BrN3OS2 and molecular weight 447.01 g/mol. IUPAC: N-(2-bromo-4-methylphenyl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetamide.
Chemical Property Profile of C19H18BrN3OS2
Property Insights of C19H18BrN3OS2
The XLogP value of 5.37182 indicates that C19H18BrN3OS2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, C19H18BrN3OS2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C19H18BrN3OS2 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 C19H18BrN3OS2?
The CAS number of C19H18BrN3OS2 is 332950-23-9.
What is the molecular formula of C19H18BrN3OS2?
The molecular formula of C19H18BrN3OS2 is C19H18BrN3OS2.
What is the molecular weight of C19H18BrN3OS2?
The molecular weight of C19H18BrN3OS2 is 447.01 g/mol.
Where can I buy C19H18BrN3OS2?
You can request a quote for C19H18BrN3OS2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H18BrN3OS2?
Yes, KEHONG BIO provides custom synthesis services for C19H18BrN3OS2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.