AB00106191-01
TL;DR: AB00106191-01 (CAS 354781-98-9) is a chemical compound with molecular formula C15H17N3O6 and molecular weight 335.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-(2-methoxy-5-nitrophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Also Known As: AB00106191-01, AN-655/14613013, methyl 4-(2-methoxy-5-nitrophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, methyl 6-(2-methoxy-5-nitrophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate, methyl 4-{5-nitro-2-methoxyphenyl}-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
| Molecular Formula | C15H17N3O6 |
|---|---|
| Molecular Weight | 335.11 g/mol |
| LogP | 1.7465 |
| Topological Polar Surface Area | 111.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.11172 |
| Heavy Atoms | 24 |
| Complexity | 742.725 |
Chemical Identifiers
| CAS Number | 354781-98-9 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1C)C2=C(C=CC(=C2)[N+](=O)[O-])OC)C(=O)OC |
Product Overview
AB00106191-01 (CAS 354781-98-9), with molecular formula C15H17N3O6 and molecular weight 335.11 g/mol. IUPAC: methyl 6-(2-methoxy-5-nitrophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of AB00106191-01
Property Insights of AB00106191-01
The XLogP value of 1.7465 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00106191-01. The TPSA of 111.01 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00106191-01. Following Lipinski's Rule of Five, AB00106191-01 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 AB00106191-01?
The CAS number of AB00106191-01 is 354781-98-9.
What is the molecular formula of AB00106191-01?
The molecular formula of AB00106191-01 is C15H17N3O6.
What is the molecular weight of AB00106191-01?
The molecular weight of AB00106191-01 is 335.11 g/mol.
Where can I buy AB00106191-01?
You can request a quote for AB00106191-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00106191-01?
Yes, KEHONG BIO provides custom synthesis services for AB00106191-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.