BRD-A31244101-001-01-0
TL;DR: BRD-A31244101-001-01-0 (CAS 1024569-83-2) is a chemical compound with molecular formula C23H21FN4O4S and molecular weight 468.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetate
Also Known As: BRD-A31244101-001-01-0, F6548-3985, ethyl 2-[[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetate, ethyl 2-{[2-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}acetate, ethyl [(2-{2-[(4-fluorobenzyl)amino]-2-oxoethyl}-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)thio]acetate
| Molecular Formula | C23H21FN4O4S |
|---|---|
| Molecular Weight | 468.13 g/mol |
| LogP | 2.787 |
| Topological Polar Surface Area | 100.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 468.12674 |
| Heavy Atoms | 33 |
| Complexity | 1149.4053 |
Chemical Identifiers
| CAS Number | 1024569-83-2 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=CC=CC=C2C3=NC(C(=O)N31)CC(=O)NCC4=CC=C(C=C4)F |
Product Overview
BRD-A31244101-001-01-0 (CAS 1024569-83-2), with molecular formula C23H21FN4O4S and molecular weight 468.13 g/mol. IUPAC: ethyl 2-[[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetate.
Chemical Property Profile of BRD-A31244101-001-01-0
Property Insights of BRD-A31244101-001-01-0
The XLogP value of 2.787 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRD-A31244101-001-01-0. The TPSA of 100.43 Ų falls within the moderate polarity range, balancing permeability and solubility for BRD-A31244101-001-01-0. Following Lipinski's Rule of Five, BRD-A31244101-001-01-0 has 1 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-A31244101-001-01-0?
The CAS number of BRD-A31244101-001-01-0 is 1024569-83-2.
What is the molecular formula of BRD-A31244101-001-01-0?
The molecular formula of BRD-A31244101-001-01-0 is C23H21FN4O4S.
What is the molecular weight of BRD-A31244101-001-01-0?
The molecular weight of BRD-A31244101-001-01-0 is 468.13 g/mol.
Where can I buy BRD-A31244101-001-01-0?
You can request a quote for BRD-A31244101-001-01-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-A31244101-001-01-0?
Yes, KEHONG BIO provides custom synthesis services for BRD-A31244101-001-01-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.