2'-Fluoroaminopterin
TL;DR: 2'-Fluoroaminopterin (CAS 92326-91-5) 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.
(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]-2-fluorobenzoyl]amino]pentanedioic acid
Also Known As: 2'-Fluoroaminopterin, (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]-2-fluorobenzoyl]amino]pentanedioic acid, (4-(((2,4-diaminopteridin-6-yl)methyl)amino)-2-fluorobenzoyl)-L-glutamic acid, L-Glutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)amino)-2-fluorobenzoyl)-, N-(4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}-2-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 | 92326-91-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1NCC2=CN=C3C(=N2)C(=NC(=N3)N)N)F)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
| InChIKey | OSRHQFAITKCASI-LBPRGKRZSA-N |
Product Overview
2'-Fluoroaminopterin (CAS 92326-91-5), with molecular formula C19H19FN8O5 and molecular weight 458.15 g/mol. IUPAC: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]-2-fluorobenzoyl]amino]pentanedioic acid.
Chemical Property Profile of 2'-Fluoroaminopterin
Property Insights of 2'-Fluoroaminopterin
The XLogP value of -1.9 indicates that 2'-Fluoroaminopterin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 219.0 Ų indicates high polarity, suggesting 2'-Fluoroaminopterin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2'-Fluoroaminopterin 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 2'-Fluoroaminopterin?
The CAS number of 2'-Fluoroaminopterin is 92326-91-5.
What is the molecular formula of 2'-Fluoroaminopterin?
The molecular formula of 2'-Fluoroaminopterin is C19H19FN8O5.
What is the molecular weight of 2'-Fluoroaminopterin?
The molecular weight of 2'-Fluoroaminopterin is 458.15 g/mol.
Where can I buy 2'-Fluoroaminopterin?
You can request a quote for 2'-Fluoroaminopterin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Fluoroaminopterin?
Yes, KEHONG BIO provides custom synthesis services for 2'-Fluoroaminopterin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.