amino}benzoate structure](/static/products/2396/23969-92-8.webp)
Methyl 4-{[(2,4-diamino-7,8-dihydropteridin-6-yl)methyl](methyl)amino}benzoate
TL;DR: Methyl 4-{[(2,4-diamino-7,8-dihydropteridin-6-yl)methyl](methyl)amino}benzoate (CAS 23969-92-8) is a chemical compound with molecular formula C16H19N7O2 and molecular weight 341.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(2,4-diamino-7,8-dihydropteridin-6-yl)methyl-methylamino]benzoate
Also Known As: methyl 4-{[(2,4-diamino-7,8-dihydropteridin-6-yl)methyl](methyl)amino}benzoate, methyl 4-[(2,4-diamino-7,8-dihydropteridin-6-yl)methyl-methy, Benzoic acid,4-[[(2,4-diamino-7,8-dihydro-6-pteridinyl)methyl]methylamino]-, methyl ester, methyl 4-[(2,4-diamino-7,8-dihydropteridin-6-yl)methyl-methylamino]benzoate
| Molecular Formula | C16H19N7O2 |
|---|---|
| Molecular Weight | 341.16 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.16003 |
| Heavy Atoms | 25 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 23969-92-8 |
|---|---|
| SMILES | CN(CC1=NC2=C(N=C(N=C2NC1)N)N)C3=CC=C(C=C3)C(=O)OC |
| InChIKey | PABPRUMGVBSJHH-UHFFFAOYSA-N |
Product Overview
Methyl 4-{[(2,4-diamino-7,8-dihydropteridin-6-yl)methyl](methyl)amino}benzoate (CAS 23969-92-8), with molecular formula C16H19N7O2 and molecular weight 341.16 g/mol. IUPAC: methyl 4-[(2,4-diamino-7,8-dihydropteridin-6-yl)methyl-methylamino]benzoate.
Chemical Property Profile of Methyl 4-{[(2,4-diamino-7,8-dihydropteridin-6-yl)methyl](methyl)amino}benzoate
Property Insights of Methyl 4-{[(2,4-diamino-7,8-dihydropteridin-6-yl)methyl](methyl)amino}benzoate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-{[(2,4-diamino-7,8-dihydropteridin-6-yl)methyl](methyl)amino}benzoate. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-{[(2,4-diamino-7,8-dihydropteridin-6-yl)methyl](methyl)amino}benzoate. Following Lipinski's Rule of Five, Methyl 4-{[(2,4-diamino-7,8-dihydropteridin-6-yl)methyl](methyl)amino}benzoate has 3 hydrogen bond donor(s) and 9 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-{[(2,4-diamino-7,8-dihydropteridin-6-yl)methyl](methyl)amino}benzoate?
The CAS number of Methyl 4-{[(2,4-diamino-7,8-dihydropteridin-6-yl)methyl](methyl)amino}benzoate is 23969-92-8.
What is the molecular formula of Methyl 4-{[(2,4-diamino-7,8-dihydropteridin-6-yl)methyl](methyl)amino}benzoate?
The molecular formula of Methyl 4-{[(2,4-diamino-7,8-dihydropteridin-6-yl)methyl](methyl)amino}benzoate is C16H19N7O2.
What is the molecular weight of Methyl 4-{[(2,4-diamino-7,8-dihydropteridin-6-yl)methyl](methyl)amino}benzoate?
The molecular weight of Methyl 4-{[(2,4-diamino-7,8-dihydropteridin-6-yl)methyl](methyl)amino}benzoate is 341.16 g/mol.
Where can I buy Methyl 4-{[(2,4-diamino-7,8-dihydropteridin-6-yl)methyl](methyl)amino}benzoate?
You can request a quote for Methyl 4-{[(2,4-diamino-7,8-dihydropteridin-6-yl)methyl](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-{[(2,4-diamino-7,8-dihydropteridin-6-yl)methyl](methyl)amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{[(2,4-diamino-7,8-dihydropteridin-6-yl)methyl](methyl)amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.