AB00112830-01
TL;DR: AB00112830-01 (CAS 430454-44-7) is a chemical compound with molecular formula C13H13BrN2O4 and molecular weight 340.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2-bromo-5-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: AB00112830-01, methyl 4-(2-bromo-5-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, methyl 4-(2-bromo-5-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C13H13BrN2O4 |
|---|---|
| Molecular Weight | 340.01 g/mol |
| LogP | 1.9556 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.00586 |
| Heavy Atoms | 20 |
| Complexity | 612.38873 |
Chemical Identifiers
| CAS Number | 430454-44-7 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=C(C=CC(=C2)O)Br)C(=O)OC |
Product Overview
AB00112830-01 (CAS 430454-44-7), with molecular formula C13H13BrN2O4 and molecular weight 340.01 g/mol. IUPAC: methyl 4-(2-bromo-5-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of AB00112830-01
Property Insights of AB00112830-01
The XLogP value of 1.9556 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00112830-01. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00112830-01. Following Lipinski's Rule of Five, AB00112830-01 has 3 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 AB00112830-01?
The CAS number of AB00112830-01 is 430454-44-7.
What is the molecular formula of AB00112830-01?
The molecular formula of AB00112830-01 is C13H13BrN2O4.
What is the molecular weight of AB00112830-01?
The molecular weight of AB00112830-01 is 340.01 g/mol.
Where can I buy AB00112830-01?
You can request a quote for AB00112830-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00112830-01?
Yes, KEHONG BIO provides custom synthesis services for AB00112830-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.