Isoaminopterin
TL;DR: Isoaminopterin (CAS 53661-94-2) is a chemical compound with molecular formula C19H20N8O5 and molecular weight 440.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[4-[[(2,4-diaminopteridin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid
Also Known As: Isoaminopterin, Iso-Aminopterin, 4-Aminoisofolic acid, 4-Amino-4-deoxyisopteroic acid, (2S)-2-[[4-[[(2,4-diaminopteridin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid
| Molecular Formula | C19H20N8O5 |
|---|---|
| Molecular Weight | 440.16 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 219.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 440.15567 |
| Heavy Atoms | 32 |
| Complexity | 674.0 |
Chemical Identifiers
| CAS Number | 53661-94-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CNC2=CN=C3C(=N2)C(=NC(=N3)N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
| InChIKey | IZMQQJRPFCPPQS-NSHDSACASA-N |
Product Overview
Isoaminopterin (CAS 53661-94-2), with molecular formula C19H20N8O5 and molecular weight 440.16 g/mol. IUPAC: (2S)-2-[[4-[[(2,4-diaminopteridin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid.
Chemical Property Profile of Isoaminopterin
Property Insights of Isoaminopterin
The XLogP value of -1.7 indicates that Isoaminopterin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 219.0 Ų indicates high polarity, suggesting Isoaminopterin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isoaminopterin has 6 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 Isoaminopterin?
The CAS number of Isoaminopterin is 53661-94-2.
What is the molecular formula of Isoaminopterin?
The molecular formula of Isoaminopterin is C19H20N8O5.
What is the molecular weight of Isoaminopterin?
The molecular weight of Isoaminopterin is 440.16 g/mol.
Where can I buy Isoaminopterin?
You can request a quote for Isoaminopterin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoaminopterin?
Yes, KEHONG BIO provides custom synthesis services for Isoaminopterin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.