![N-(4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}-3-fluorobenzoyl)-L-glutamic acid structure](/static/products/858/85803-34-5.png)
N-(4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}-3-fluorobenzoyl)-L-glutamic acid
TL;DR: N-(4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}-3-fluorobenzoyl)-L-glutamic acid (CAS 85803-34-5) is a chemical compound with molecular formula C19H19FN8O5 and molecular weight 458.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]-3-fluorobenzoyl]amino]pentanedioic acid
Also Known As: 3'-Fluoroaminopterin, NCI60_004696, 2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]-3-fluorobenzoyl]amino]pentanedioic acid, 2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-3-fluoro-benzoylamino}-pentanedioic acid, N-(4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}-3-fluorobenzoyl)-L-glutamic acid
| Molecular Formula | C19H19FN8O5 |
|---|---|
| Molecular Weight | 458.15 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 219.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 458.14624 |
| Heavy Atoms | 33 |
| Complexity | 718.0 |
Chemical Identifiers
| CAS Number | 85803-34-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)NC(CCC(=O)O)C(=O)O)F)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N |
| InChIKey | SGJMILOGOMOIPG-UHFFFAOYSA-N |
Product Overview
N-(4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}-3-fluorobenzoyl)-L-glutamic acid (CAS 85803-34-5), with molecular formula C19H19FN8O5 and molecular weight 458.15 g/mol. IUPAC: 2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]-3-fluorobenzoyl]amino]pentanedioic acid.
Chemical Property Profile of N-(4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}-3-fluorobenzoyl)-L-glutamic acid
Property Insights of N-(4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}-3-fluorobenzoyl)-L-glutamic acid
The XLogP value of -1.9 indicates that N-(4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}-3-fluorobenzoyl)-L-glutamic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 219.0 Ų indicates high polarity, suggesting N-(4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}-3-fluorobenzoyl)-L-glutamic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}-3-fluorobenzoyl)-L-glutamic acid has 6 hydrogen bond donor(s) and 13 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-{[(2,4-Diamino-6-pteridinyl)methyl]amino}-3-fluorobenzoyl)-L-glutamic acid?
The CAS number of N-(4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}-3-fluorobenzoyl)-L-glutamic acid is 85803-34-5.
What is the molecular formula of N-(4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}-3-fluorobenzoyl)-L-glutamic acid?
The molecular formula of N-(4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}-3-fluorobenzoyl)-L-glutamic acid is C19H19FN8O5.
What is the molecular weight of N-(4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}-3-fluorobenzoyl)-L-glutamic acid?
The molecular weight of N-(4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}-3-fluorobenzoyl)-L-glutamic acid is 458.15 g/mol.
Where can I buy N-(4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}-3-fluorobenzoyl)-L-glutamic acid?
You can request a quote for N-(4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}-3-fluorobenzoyl)-L-glutamic 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-{[(2,4-Diamino-6-pteridinyl)methyl]amino}-3-fluorobenzoyl)-L-glutamic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}-3-fluorobenzoyl)-L-glutamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.