10-Propargylaminopterin
TL;DR: 10-Propargylaminopterin (CAS 82318-25-0) is a chemical compound with molecular formula C22H22N8O5 and molecular weight 478.17 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)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid
Also Known As: 10-Propargylaminopterin, 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid, 2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid, L-Glutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)-2-propynylamino)benzoyl)-, RefChem:77637
| Molecular Formula | C22H22N8O5 |
|---|---|
| Molecular Weight | 478.17 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 211.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 478.17133 |
| Heavy Atoms | 35 |
| Complexity | 811.0 |
Chemical Identifiers
| CAS Number | 82318-25-0 |
|---|---|
| SMILES | C#CCN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O |
| InChIKey | GMNLACQTNWJVHI-UHFFFAOYSA-N |
Product Overview
10-Propargylaminopterin (CAS 82318-25-0), with molecular formula C22H22N8O5 and molecular weight 478.17 g/mol. IUPAC: 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid.
Chemical Property Profile of 10-Propargylaminopterin
Property Insights of 10-Propargylaminopterin
The XLogP value of -1.7 indicates that 10-Propargylaminopterin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 211.0 Ų indicates high polarity, suggesting 10-Propargylaminopterin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 10-Propargylaminopterin 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 10-Propargylaminopterin?
The CAS number of 10-Propargylaminopterin is 82318-25-0.
What is the molecular formula of 10-Propargylaminopterin?
The molecular formula of 10-Propargylaminopterin is C22H22N8O5.
What is the molecular weight of 10-Propargylaminopterin?
The molecular weight of 10-Propargylaminopterin is 478.17 g/mol.
Where can I buy 10-Propargylaminopterin?
You can request a quote for 10-Propargylaminopterin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-Propargylaminopterin?
Yes, KEHONG BIO provides custom synthesis services for 10-Propargylaminopterin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.