10-Deazaaminopterin
TL;DR: 10-Deazaaminopterin (CAS 52454-37-2) is a chemical compound with molecular formula C20H21N7O5 and molecular weight 439.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[4-[2-(2,4-diaminopteridin-6-yl)ethyl]benzoyl]amino]pentanedioic acid
Also Known As: 10-Deazaaminopterin, 10-Deazaminopterin, 10-Deaza-aminopterin, L-Glutamic acid, N-(4-(2-(2,4-diamino-6-pteridinyl)ethyl)benzoyl)-, (2S)-2-[[4-[2-(2,4-diaminopteridin-6-yl)ethyl]benzoyl]amino]pentanedioic acid
| Molecular Formula | C20H21N7O5 |
|---|---|
| Molecular Weight | 439.16 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 207.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 439.16043 |
| Heavy Atoms | 32 |
| Complexity | 673.0 |
Chemical Identifiers
| CAS Number | 52454-37-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CCC2=CN=C3C(=N2)C(=NC(=N3)N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
| InChIKey | LGFLRHWJJKLPCC-ZDUSSCGKSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
10-Deazaaminopterin (CAS 52454-37-2), with molecular formula C20H21N7O5 and molecular weight 439.16 g/mol. IUPAC: (2S)-2-[[4-[2-(2,4-diaminopteridin-6-yl)ethyl]benzoyl]amino]pentanedioic acid.
Chemical Property Profile of 10-Deazaaminopterin
Property Insights of 10-Deazaaminopterin
The XLogP value of -1.3 indicates that 10-Deazaaminopterin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 207.0 Ų indicates high polarity, suggesting 10-Deazaaminopterin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 10-Deazaaminopterin 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 10-Deazaaminopterin?
The CAS number of 10-Deazaaminopterin is 52454-37-2.
What is the molecular formula of 10-Deazaaminopterin?
The molecular formula of 10-Deazaaminopterin is C20H21N7O5.
What is the molecular weight of 10-Deazaaminopterin?
The molecular weight of 10-Deazaaminopterin is 439.16 g/mol.
Where can I buy 10-Deazaaminopterin?
You can request a quote for 10-Deazaaminopterin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-Deazaaminopterin?
Yes, KEHONG BIO provides custom synthesis services for 10-Deazaaminopterin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.