AB00106658-01
TL;DR: AB00106658-01 (CAS 4318-50-7) is a chemical compound with molecular formula C12H13N3O6 and molecular weight 295.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,4-dimethyl-6-(5-nitrofuran-2-yl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Also Known As: AB00106658-01, AN-655/14613004, methyl 1,6-dimethyl-4-(5-nitrofuran-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, methyl 1,6-dimethyl-4-(5-nitro-2-furyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, methyl 3,4-dimethyl-6-(5-nitrofuran-2-yl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate
| Molecular Formula | C12H13N3O6 |
|---|---|
| Molecular Weight | 295.08 g/mol |
| LogP | 1.3309 |
| Topological Polar Surface Area | 114.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.08044 |
| Heavy Atoms | 21 |
| Complexity | 647.1729 |
Chemical Identifiers
| CAS Number | 4318-50-7 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1C)C2=CC=C(O2)[N+](=O)[O-])C(=O)OC |
Product Overview
AB00106658-01 (CAS 4318-50-7), with molecular formula C12H13N3O6 and molecular weight 295.08 g/mol. IUPAC: methyl 3,4-dimethyl-6-(5-nitrofuran-2-yl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of AB00106658-01
Property Insights of AB00106658-01
The XLogP value of 1.3309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00106658-01. The TPSA of 114.92 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00106658-01. Following Lipinski's Rule of Five, AB00106658-01 has 1 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 AB00106658-01?
The CAS number of AB00106658-01 is 4318-50-7.
What is the molecular formula of AB00106658-01?
The molecular formula of AB00106658-01 is C12H13N3O6.
What is the molecular weight of AB00106658-01?
The molecular weight of AB00106658-01 is 295.08 g/mol.
Where can I buy AB00106658-01?
You can request a quote for AB00106658-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00106658-01?
Yes, KEHONG BIO provides custom synthesis services for AB00106658-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.