11-Oxahomoaminopterin
TL;DR: 11-Oxahomoaminopterin (CAS 78520-72-6) is a chemical compound with molecular formula C20H21N7O6 and molecular weight 455.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[2-(2,4-diaminopteridin-6-yl)ethoxy]benzoyl]amino]pentanedioic acid
Also Known As: 11-Oxahomoaminopterin, 2-[[4-[2-(2,4-diaminopteridin-6-yl)ethoxy]benzoyl]amino]pentanedioic acid, n-{4-[2-(2,4-diaminopteridin-6-yl)ethoxy]benzoyl}glutamic acid, (2S)-2-[[4-[2-(2,4-diaminopteridin-6-yl)ethoxy]benzoyl]amino]pentanedioic acid, L-Glutamic acid, N-(4-(2-(2,4-diamino-6-pteridinyl)ethoxy)benzoyl)-
| Molecular Formula | C20H21N7O6 |
|---|---|
| Molecular Weight | 455.16 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 217.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 455.15533 |
| Heavy Atoms | 33 |
| Complexity | 690.0 |
Chemical Identifiers
| CAS Number | 78520-72-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)OCCC2=CN=C3C(=N2)C(=NC(=N3)N)N |
| InChIKey | JTHMPDYXHCUKIJ-UHFFFAOYSA-N |
Product Overview
11-Oxahomoaminopterin (CAS 78520-72-6), with molecular formula C20H21N7O6 and molecular weight 455.16 g/mol. IUPAC: 2-[[4-[2-(2,4-diaminopteridin-6-yl)ethoxy]benzoyl]amino]pentanedioic acid.
Chemical Property Profile of 11-Oxahomoaminopterin
Property Insights of 11-Oxahomoaminopterin
The XLogP value of -1.5 indicates that 11-Oxahomoaminopterin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 217.0 Ų indicates high polarity, suggesting 11-Oxahomoaminopterin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 11-Oxahomoaminopterin has 5 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 11-Oxahomoaminopterin?
The CAS number of 11-Oxahomoaminopterin is 78520-72-6.
What is the molecular formula of 11-Oxahomoaminopterin?
The molecular formula of 11-Oxahomoaminopterin is C20H21N7O6.
What is the molecular weight of 11-Oxahomoaminopterin?
The molecular weight of 11-Oxahomoaminopterin is 455.16 g/mol.
Where can I buy 11-Oxahomoaminopterin?
You can request a quote for 11-Oxahomoaminopterin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-Oxahomoaminopterin?
Yes, KEHONG BIO provides custom synthesis services for 11-Oxahomoaminopterin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.