BRD-A00858612-001-01-6
TL;DR: BRD-A00858612-001-01-6 (CAS 1028685-06-4) is a chemical compound with molecular formula C21H18N4O4S and molecular weight 422.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-3-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)propanamide
Also Known As: BRD-A00858612-001-01-6, F6548-3617, N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}propanamide, N-(1,3-benzodioxol-5-ylmethyl)-3-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)propanamide, N-(1,3-benzodioxol-5-ylmethyl)-3-(3-oxo-5-sulfanylidene-2,6-dihydroimidazo[1,2-c]quinazolin-2-yl)propanamide
| Molecular Formula | C21H18N4O4S |
|---|---|
| Molecular Weight | 422.10 g/mol |
| LogP | 3.02539 |
| Topological Polar Surface Area | 94.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.1049 |
| Heavy Atoms | 30 |
| Complexity | 1239.3937 |
Chemical Identifiers
| CAS Number | 1028685-06-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)CCC3C(=O)N4C(=C5C=CC=CC5=NC4=S)N3 |
Product Overview
BRD-A00858612-001-01-6 (CAS 1028685-06-4), with molecular formula C21H18N4O4S and molecular weight 422.10 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-3-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)propanamide.
Chemical Property Profile of BRD-A00858612-001-01-6
Property Insights of BRD-A00858612-001-01-6
The XLogP value of 3.02539 indicates that BRD-A00858612-001-01-6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.48 Ų falls within the moderate polarity range, balancing permeability and solubility for BRD-A00858612-001-01-6. Following Lipinski's Rule of Five, BRD-A00858612-001-01-6 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BRD-A00858612-001-01-6?
The CAS number of BRD-A00858612-001-01-6 is 1028685-06-4.
What is the molecular formula of BRD-A00858612-001-01-6?
The molecular formula of BRD-A00858612-001-01-6 is C21H18N4O4S.
What is the molecular weight of BRD-A00858612-001-01-6?
The molecular weight of BRD-A00858612-001-01-6 is 422.10 g/mol.
Where can I buy BRD-A00858612-001-01-6?
You can request a quote for BRD-A00858612-001-01-6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-A00858612-001-01-6?
Yes, KEHONG BIO provides custom synthesis services for BRD-A00858612-001-01-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.