![methyl 4-[(2-amino-4-sulfanylidene-1H-pteridin-6-yl)methyl-methylamino]benzoate structure](/static/products/5147/51471-53-5.webp)
methyl 4-[(2-amino-4-sulfanylidene-1H-pteridin-6-yl)methyl-methylamino]benzoate
TL;DR: methyl 4-[(2-amino-4-sulfanylidene-1H-pteridin-6-yl)methyl-methylamino]benzoate (CAS 51471-53-5) is a chemical compound with molecular formula C16H16N6O2S and molecular weight 356.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(2-amino-4-sulfanylidene-1H-pteridin-6-yl)methyl-methylamino]benzoate
Also Known As: methyl 4-[(2-amino-4-sulfanylidene-1H-pteridin-6-yl)methyl-m, methyl 4-[(2-amino-4-sulfanylidene-1H-pteridin-6-yl)methyl-methylamino]benzoate, Methyl 4-{[(2-amino-4-sulfanylidene-1,4-dihydropteridin-6-yl)methyl](methyl)amino}benzoate
| Molecular Formula | C16H16N6O2S |
|---|---|
| Molecular Weight | 356.11 g/mol |
| LogP | 2.08759 |
| Topological Polar Surface Area | 110.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.10553 |
| Heavy Atoms | 25 |
| Complexity | 986.07666 |
Chemical Identifiers
| CAS Number | 51471-53-5 |
|---|---|
| SMILES | CN(CC1=CN=C2C(=N1)C(=S)N=C(N2)N)C3=CC=C(C=C3)C(=O)OC |
Product Overview
methyl 4-[(2-amino-4-sulfanylidene-1H-pteridin-6-yl)methyl-methylamino]benzoate (CAS 51471-53-5), with molecular formula C16H16N6O2S and molecular weight 356.11 g/mol. IUPAC: methyl 4-[(2-amino-4-sulfanylidene-1H-pteridin-6-yl)methyl-methylamino]benzoate.
Chemical Property Profile of methyl 4-[(2-amino-4-sulfanylidene-1H-pteridin-6-yl)methyl-methylamino]benzoate
Property Insights of methyl 4-[(2-amino-4-sulfanylidene-1H-pteridin-6-yl)methyl-methylamino]benzoate
The XLogP value of 2.08759 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-[(2-amino-4-sulfanylidene-1H-pteridin-6-yl)methyl-methylamino]benzoate. The TPSA of 110.02 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[(2-amino-4-sulfanylidene-1H-pteridin-6-yl)methyl-methylamino]benzoate. Following Lipinski's Rule of Five, methyl 4-[(2-amino-4-sulfanylidene-1H-pteridin-6-yl)methyl-methylamino]benzoate has 2 hydrogen bond donor(s) and 8 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-[(2-amino-4-sulfanylidene-1H-pteridin-6-yl)methyl-methylamino]benzoate?
The CAS number of methyl 4-[(2-amino-4-sulfanylidene-1H-pteridin-6-yl)methyl-methylamino]benzoate is 51471-53-5.
What is the molecular formula of methyl 4-[(2-amino-4-sulfanylidene-1H-pteridin-6-yl)methyl-methylamino]benzoate?
The molecular formula of methyl 4-[(2-amino-4-sulfanylidene-1H-pteridin-6-yl)methyl-methylamino]benzoate is C16H16N6O2S.
What is the molecular weight of methyl 4-[(2-amino-4-sulfanylidene-1H-pteridin-6-yl)methyl-methylamino]benzoate?
The molecular weight of methyl 4-[(2-amino-4-sulfanylidene-1H-pteridin-6-yl)methyl-methylamino]benzoate is 356.11 g/mol.
Where can I buy methyl 4-[(2-amino-4-sulfanylidene-1H-pteridin-6-yl)methyl-methylamino]benzoate?
You can request a quote for methyl 4-[(2-amino-4-sulfanylidene-1H-pteridin-6-yl)methyl-methylamino]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-[(2-amino-4-sulfanylidene-1H-pteridin-6-yl)methyl-methylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[(2-amino-4-sulfanylidene-1H-pteridin-6-yl)methyl-methylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.