AT-057/42350966
TL;DR: AT-057/42350966 (CAS 701237-86-7) is a chemical compound with molecular formula C22H21BrN2O6 and molecular weight 488.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-(2-bromobenzoyl)oxy-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: AT-057/42350966, ethyl 4-[4-(2-bromobenzoyl)oxy-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate, ethyl 6-(4-{[(2-bromophenyl)carbonyl]oxy}-3-methoxyphenyl)-2-hydroxy-4-methyl-1,6-dihydropyrimidine-5-carboxylate, ethyl 6-{4-[(2-bromobenzoyl)oxy]-3-methoxyphenyl}-2-hydroxy-4-methyl-1,6-dihydro-5-pyrimidinecarboxylate, ETHYL 4-{4-[(2-BROMOBENZOYL)OXY]-3-METHOXYPHENYL}-6-METHYL-2-OXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE
| Molecular Formula | C22H21BrN2O6 |
|---|---|
| Molecular Weight | 488.06 g/mol |
| LogP | 3.8679 |
| Topological Polar Surface Area | 102.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.0583 |
| Heavy Atoms | 31 |
| Complexity | 1065.7167 |
Chemical Identifiers
| CAS Number | 701237-86-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3Br)OC)C |
Product Overview
AT-057/42350966 (CAS 701237-86-7), with molecular formula C22H21BrN2O6 and molecular weight 488.06 g/mol. IUPAC: ethyl 4-[4-(2-bromobenzoyl)oxy-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of AT-057/42350966
Property Insights of AT-057/42350966
The XLogP value of 3.8679 indicates that AT-057/42350966 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.96 Ų falls within the moderate polarity range, balancing permeability and solubility for AT-057/42350966. Following Lipinski's Rule of Five, AT-057/42350966 has 2 hydrogen bond donor(s) and 6 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 AT-057/42350966?
The CAS number of AT-057/42350966 is 701237-86-7.
What is the molecular formula of AT-057/42350966?
The molecular formula of AT-057/42350966 is C22H21BrN2O6.
What is the molecular weight of AT-057/42350966?
The molecular weight of AT-057/42350966 is 488.06 g/mol.
Where can I buy AT-057/42350966?
You can request a quote for AT-057/42350966 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AT-057/42350966?
Yes, KEHONG BIO provides custom synthesis services for AT-057/42350966 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.