![methyl 4-[({5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)amino]benzoate structure](/static/products/876/876903-68-3.png)
methyl 4-[({5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)amino]benzoate
TL;DR: methyl 4-[({5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)amino]benzoate (CAS 876903-68-3) is a chemical compound with molecular formula C15H13N3O3S and molecular weight 315.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]benzoate
Also Known As: AB00742686-01, methyl 4-[({5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)amino]benzoate, methyl 4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]benzoate, methyl 4-{[(5-oxo-4-hydro-1,3-thiazolino[3,2-a]pyrimidin-7-yl)methyl]amino}ben zoate
| Molecular Formula | C15H13N3O3S |
|---|---|
| Molecular Weight | 315.07 g/mol |
| LogP | 2.1547 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.06775 |
| Heavy Atoms | 22 |
| Complexity | 867.6201 |
Chemical Identifiers
| CAS Number | 876903-68-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NCC2=CC(=O)N3C=CSC3=N2 |
Product Overview
methyl 4-[({5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)amino]benzoate (CAS 876903-68-3), with molecular formula C15H13N3O3S and molecular weight 315.07 g/mol. IUPAC: methyl 4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]benzoate.
Chemical Property Profile of methyl 4-[({5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)amino]benzoate
Property Insights of methyl 4-[({5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)amino]benzoate
The XLogP value of 2.1547 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-[({5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)amino]benzoate. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[({5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)amino]benzoate. Following Lipinski's Rule of Five, methyl 4-[({5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)amino]benzoate 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 methyl 4-[({5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)amino]benzoate?
The CAS number of methyl 4-[({5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)amino]benzoate is 876903-68-3.
What is the molecular formula of methyl 4-[({5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)amino]benzoate?
The molecular formula of methyl 4-[({5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)amino]benzoate is C15H13N3O3S.
What is the molecular weight of methyl 4-[({5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)amino]benzoate?
The molecular weight of methyl 4-[({5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)amino]benzoate is 315.07 g/mol.
Where can I buy methyl 4-[({5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)amino]benzoate?
You can request a quote for methyl 4-[({5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[({5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[({5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.