BRD-A58046131-001-01-1
TL;DR: BRD-A58046131-001-01-1 (CAS 958698-58-3) is a chemical compound with molecular formula C27H23ClN4O3S and molecular weight 518.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[(2-chlorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
Also Known As: BRD-A58046131-001-01-1, F6548-4017, 2-(5-{[(2-chlorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide, 2-[5-[(2-chlorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide, 2-(5-((2-chlorobenzyl)thio)-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-2-yl)-N-(4-methoxybenzyl)acetamide
| Molecular Formula | C27H23ClN4O3S |
|---|---|
| Molecular Weight | 518.12 g/mol |
| LogP | 4.947 |
| Topological Polar Surface Area | 83.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 518.1179 |
| Heavy Atoms | 36 |
| Complexity | 1373.4415 |
Chemical Identifiers
| CAS Number | 958698-58-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNC(=O)CC2C(=O)N3C(=N2)C4=CC=CC=C4N=C3SCC5=CC=CC=C5Cl |
Product Overview
BRD-A58046131-001-01-1 (CAS 958698-58-3), with molecular formula C27H23ClN4O3S and molecular weight 518.12 g/mol. IUPAC: 2-[5-[(2-chlorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide.
Chemical Property Profile of BRD-A58046131-001-01-1
Property Insights of BRD-A58046131-001-01-1
The XLogP value of 4.947 indicates that BRD-A58046131-001-01-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.36 Ų falls within the moderate polarity range, balancing permeability and solubility for BRD-A58046131-001-01-1. Following Lipinski's Rule of Five, BRD-A58046131-001-01-1 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 BRD-A58046131-001-01-1?
The CAS number of BRD-A58046131-001-01-1 is 958698-58-3.
What is the molecular formula of BRD-A58046131-001-01-1?
The molecular formula of BRD-A58046131-001-01-1 is C27H23ClN4O3S.
What is the molecular weight of BRD-A58046131-001-01-1?
The molecular weight of BRD-A58046131-001-01-1 is 518.12 g/mol.
Where can I buy BRD-A58046131-001-01-1?
You can request a quote for BRD-A58046131-001-01-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-A58046131-001-01-1?
Yes, KEHONG BIO provides custom synthesis services for BRD-A58046131-001-01-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.