AB00113255-01
TL;DR: AB00113255-01 (CAS 430460-56-3) is a chemical compound with molecular formula C15H17BrN2O4 and molecular weight 368.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(5-bromo-2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: AB00113255-01, Methyl 4-(5-bromo-2-ethoxyphenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-5-pyrimidinecarboxylate, methyl 4-(5-bromo-2-ethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, methyl 4-(5-bromo-2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate, methyl 4-(5-bromo-2-ethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
| Molecular Formula | C15H17BrN2O4 |
|---|---|
| Molecular Weight | 368.04 g/mol |
| LogP | 2.6487 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.03717 |
| Heavy Atoms | 22 |
| Complexity | 642.4297 |
Chemical Identifiers
| CAS Number | 430460-56-3 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)Br)C2C(=C(NC(=O)N2)C)C(=O)OC |
Product Overview
AB00113255-01 (CAS 430460-56-3), with molecular formula C15H17BrN2O4 and molecular weight 368.04 g/mol. IUPAC: methyl 4-(5-bromo-2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of AB00113255-01
Property Insights of AB00113255-01
The XLogP value of 2.6487 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00113255-01. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00113255-01. Following Lipinski's Rule of Five, AB00113255-01 has 2 hydrogen bond donor(s) and 4 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 AB00113255-01?
The CAS number of AB00113255-01 is 430460-56-3.
What is the molecular formula of AB00113255-01?
The molecular formula of AB00113255-01 is C15H17BrN2O4.
What is the molecular weight of AB00113255-01?
The molecular weight of AB00113255-01 is 368.04 g/mol.
Where can I buy AB00113255-01?
You can request a quote for AB00113255-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00113255-01?
Yes, KEHONG BIO provides custom synthesis services for AB00113255-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.