BRD-A16644398-001-01-2
TL;DR: BRD-A16644398-001-01-2 (CAS 1022358-84-4) is a chemical compound with molecular formula C29H22N6O5S and molecular weight 566.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2-[3-oxo-5-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide
Also Known As: BRD-A16644398-001-01-2, F6548-4061, N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{3-oxo-5-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-2H,3H-imidazo[1,2-c]quinazolin-2-yl}acetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-[3-oxo-5-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-(3-oxo-5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]thio}-2,3-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide
| Molecular Formula | C29H22N6O5S |
|---|---|
| Molecular Weight | 566.14 g/mol |
| LogP | 3.0216 |
| Topological Polar Surface Area | 126.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 566.13727 |
| Heavy Atoms | 41 |
| Complexity | 1851.223 |
Chemical Identifiers
| CAS Number | 1022358-84-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)CC3C(=O)N4C(=N3)C5=CC=CC=C5N=C4SCC6=CC(=O)N7C=CC=CC7=N6 |
Product Overview
BRD-A16644398-001-01-2 (CAS 1022358-84-4), with molecular formula C29H22N6O5S and molecular weight 566.14 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-oxo-5-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide.
Chemical Property Profile of BRD-A16644398-001-01-2
Property Insights of BRD-A16644398-001-01-2
The XLogP value of 3.0216 indicates that BRD-A16644398-001-01-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.96 Ų falls within the moderate polarity range, balancing permeability and solubility for BRD-A16644398-001-01-2. Following Lipinski's Rule of Five, BRD-A16644398-001-01-2 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BRD-A16644398-001-01-2?
The CAS number of BRD-A16644398-001-01-2 is 1022358-84-4.
What is the molecular formula of BRD-A16644398-001-01-2?
The molecular formula of BRD-A16644398-001-01-2 is C29H22N6O5S.
What is the molecular weight of BRD-A16644398-001-01-2?
The molecular weight of BRD-A16644398-001-01-2 is 566.14 g/mol.
Where can I buy BRD-A16644398-001-01-2?
You can request a quote for BRD-A16644398-001-01-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-A16644398-001-01-2?
Yes, KEHONG BIO provides custom synthesis services for BRD-A16644398-001-01-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.