N-(4-Amino-4-deoxy-N-methylpteroyl)-3-aminopropanephosphonic acid
TL;DR: N-(4-Amino-4-deoxy-N-methylpteroyl)-3-aminopropanephosphonic acid (CAS 114155-96-3) is a chemical compound with molecular formula C18H23N8O4P and molecular weight 446.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]propylphosphonic acid
Also Known As: PXDN, KST-1A9922, N-(4-Amino-4-deoxy-N-methylpteroyl)-3-aminopropanephosphonic acid, 5'-O-(9-Phenylxanthen-9-yl)-2'-deoxynebularine, {3-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)amino]propyl}phosphonic acid
| Molecular Formula | C18H23N8O4P |
|---|---|
| Molecular Weight | 446.16 g/mol |
| LogP | -2.8 |
| Topological Polar Surface Area | 193.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 446.158 |
| Heavy Atoms | 31 |
| Complexity | 644.0 |
Chemical Identifiers
| CAS Number | 114155-96-3 |
|---|---|
| SMILES | CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NCCCP(=O)(O)O |
| InChIKey | QOVRSVLFAARMJU-UHFFFAOYSA-N |
Product Overview
N-(4-Amino-4-deoxy-N-methylpteroyl)-3-aminopropanephosphonic acid (CAS 114155-96-3), with molecular formula C18H23N8O4P and molecular weight 446.16 g/mol. IUPAC: 3-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]propylphosphonic acid.
Chemical Property Profile of N-(4-Amino-4-deoxy-N-methylpteroyl)-3-aminopropanephosphonic acid
Property Insights of N-(4-Amino-4-deoxy-N-methylpteroyl)-3-aminopropanephosphonic acid
The XLogP value of -2.8 indicates that N-(4-Amino-4-deoxy-N-methylpteroyl)-3-aminopropanephosphonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 193.0 Ų indicates high polarity, suggesting N-(4-Amino-4-deoxy-N-methylpteroyl)-3-aminopropanephosphonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(4-Amino-4-deoxy-N-methylpteroyl)-3-aminopropanephosphonic acid has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(4-Amino-4-deoxy-N-methylpteroyl)-3-aminopropanephosphonic acid?
The CAS number of N-(4-Amino-4-deoxy-N-methylpteroyl)-3-aminopropanephosphonic acid is 114155-96-3.
What is the molecular formula of N-(4-Amino-4-deoxy-N-methylpteroyl)-3-aminopropanephosphonic acid?
The molecular formula of N-(4-Amino-4-deoxy-N-methylpteroyl)-3-aminopropanephosphonic acid is C18H23N8O4P.
What is the molecular weight of N-(4-Amino-4-deoxy-N-methylpteroyl)-3-aminopropanephosphonic acid?
The molecular weight of N-(4-Amino-4-deoxy-N-methylpteroyl)-3-aminopropanephosphonic acid is 446.16 g/mol.
Where can I buy N-(4-Amino-4-deoxy-N-methylpteroyl)-3-aminopropanephosphonic acid?
You can request a quote for N-(4-Amino-4-deoxy-N-methylpteroyl)-3-aminopropanephosphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Amino-4-deoxy-N-methylpteroyl)-3-aminopropanephosphonic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Amino-4-deoxy-N-methylpteroyl)-3-aminopropanephosphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.