methyl 4-[[(2E)-3-[(2-acetamido-6-benzylsulfanyl-5-nitropyri
TL;DR: methyl 4-[[(2E)-3-[(2-acetamido-6-benzylsulfanyl-5-nitropyri (CAS 51471-49-9) is a chemical compound with molecular formula C25H27N7O6S and molecular weight 553.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[3-[(2-acetamido-6-benzylsulfanyl-5-nitropyrimidin-4-yl)amino]-2-hydroxyiminopropyl]-methylamino]benzoate
Also Known As: methyl 4-[[(2E)-3-[(2-acetamido-6-benzylsulfanyl-5-nitropyri, methyl 4-[[3-[(2-acetamido-6-benzylsulfanyl-5-nitropyrimidin-4-yl)amino]-2-hydroxyiminopropyl]-methylamino]benzoate, methyl 4-{[3-{[2-(acetylamino)-6-(benzylsulfanyl)-5-nitropyrimidin-4-yl]amino}-2-(hydroxyimino)propyl](methyl)amino}benzoate
| Molecular Formula | C25H27N7O6S |
|---|---|
| Molecular Weight | 553.17 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 200.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 553.1744 |
| Heavy Atoms | 39 |
| Complexity | 845.0 |
Chemical Identifiers
| CAS Number | 51471-49-9 |
|---|---|
| SMILES | CC(=O)NC1=NC(=C(C(=N1)SCC2=CC=CC=C2)[N+](=O)[O-])NCC(=NO)CN(C)C3=CC=C(C=C3)C(=O)OC |
| InChIKey | FYCFEWXYELRJNU-UHFFFAOYSA-N |
Product Overview
methyl 4-[[(2E)-3-[(2-acetamido-6-benzylsulfanyl-5-nitropyri (CAS 51471-49-9), with molecular formula C25H27N7O6S and molecular weight 553.17 g/mol. IUPAC: methyl 4-[[3-[(2-acetamido-6-benzylsulfanyl-5-nitropyrimidin-4-yl)amino]-2-hydroxyiminopropyl]-methylamino]benzoate.
Chemical Property Profile of methyl 4-[[(2E)-3-[(2-acetamido-6-benzylsulfanyl-5-nitropyri
Property Insights of methyl 4-[[(2E)-3-[(2-acetamido-6-benzylsulfanyl-5-nitropyri
The XLogP value of 4.5 indicates that methyl 4-[[(2E)-3-[(2-acetamido-6-benzylsulfanyl-5-nitropyri is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 200.0 Ų indicates high polarity, suggesting methyl 4-[[(2E)-3-[(2-acetamido-6-benzylsulfanyl-5-nitropyri may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, methyl 4-[[(2E)-3-[(2-acetamido-6-benzylsulfanyl-5-nitropyri has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 4-[[(2E)-3-[(2-acetamido-6-benzylsulfanyl-5-nitropyri?
The CAS number of methyl 4-[[(2E)-3-[(2-acetamido-6-benzylsulfanyl-5-nitropyri is 51471-49-9.
What is the molecular formula of methyl 4-[[(2E)-3-[(2-acetamido-6-benzylsulfanyl-5-nitropyri?
The molecular formula of methyl 4-[[(2E)-3-[(2-acetamido-6-benzylsulfanyl-5-nitropyri is C25H27N7O6S.
What is the molecular weight of methyl 4-[[(2E)-3-[(2-acetamido-6-benzylsulfanyl-5-nitropyri?
The molecular weight of methyl 4-[[(2E)-3-[(2-acetamido-6-benzylsulfanyl-5-nitropyri is 553.17 g/mol.
Where can I buy methyl 4-[[(2E)-3-[(2-acetamido-6-benzylsulfanyl-5-nitropyri?
You can request a quote for methyl 4-[[(2E)-3-[(2-acetamido-6-benzylsulfanyl-5-nitropyri directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[[(2E)-3-[(2-acetamido-6-benzylsulfanyl-5-nitropyri?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[[(2E)-3-[(2-acetamido-6-benzylsulfanyl-5-nitropyri and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.