BRD-A98455749-001-01-0
TL;DR: BRD-A98455749-001-01-0 (CAS 1022807-19-7) is a chemical compound with molecular formula C27H21ClN4O4S and molecular weight 532.10 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-[5-[(2-chlorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide
Also Known As: BRD-A98455749-001-01-0, F6548-4070, N-(1,3-benzodioxol-5-ylmethyl)-2-[5-[(2-chlorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide, N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(5-{[(2-chlorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)acetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-{5-[(2-chlorobenzyl)thio]-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-2-yl}acetamide
| Molecular Formula | C27H21ClN4O4S |
|---|---|
| Molecular Weight | 532.10 g/mol |
| LogP | 4.6671 |
| Topological Polar Surface Area | 92.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 532.0972 |
| Heavy Atoms | 37 |
| Complexity | 1474.2651 |
Chemical Identifiers
| CAS Number | 1022807-19-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)CC3C(=O)N4C(=N3)C5=CC=CC=C5N=C4SCC6=CC=CC=C6Cl |
Product Overview
BRD-A98455749-001-01-0 (CAS 1022807-19-7), with molecular formula C27H21ClN4O4S and molecular weight 532.10 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-[5-[(2-chlorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide.
Chemical Property Profile of BRD-A98455749-001-01-0
Property Insights of BRD-A98455749-001-01-0
The XLogP value of 4.6671 indicates that BRD-A98455749-001-01-0 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.59 Ų falls within the moderate polarity range, balancing permeability and solubility for BRD-A98455749-001-01-0. Following Lipinski's Rule of Five, BRD-A98455749-001-01-0 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BRD-A98455749-001-01-0?
The CAS number of BRD-A98455749-001-01-0 is 1022807-19-7.
What is the molecular formula of BRD-A98455749-001-01-0?
The molecular formula of BRD-A98455749-001-01-0 is C27H21ClN4O4S.
What is the molecular weight of BRD-A98455749-001-01-0?
The molecular weight of BRD-A98455749-001-01-0 is 532.10 g/mol.
Where can I buy BRD-A98455749-001-01-0?
You can request a quote for BRD-A98455749-001-01-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-A98455749-001-01-0?
Yes, KEHONG BIO provides custom synthesis services for BRD-A98455749-001-01-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.