10,10-Dimethyl-10-deazaaminopterin
TL;DR: 10,10-Dimethyl-10-deazaaminopterin (CAS 80576-88-1) is a chemical compound with molecular formula C22H25N7O5 and molecular weight 467.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[4-[1-(2,4-diaminopteridin-6-yl)-2-methylpropan-2-yl]benzoyl]amino]pentanedioic acid
Also Known As: 10,10-Dimethyl-10-deazaaminopterin, 10,10-Dimethyl-10-deaza-aminopterin, (2S)-2-[[4-[1-(2,4-diaminopteridin-6-yl)-2-methylpropan-2-yl]benzoyl]amino]pentanedioic acid, L-Glutamic acid, N-(4-(2-(2,4-diamino-6-pteridinyl)-1,1-dimethylethyl)benzoyl)-, (4-(1-(2,4-diaminopteridin-6-yl)-2-methylpropan-2-yl)benzoyl)-L-glutamic acid
| Molecular Formula | C22H25N7O5 |
|---|---|
| Molecular Weight | 467.19 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 207.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 467.1917 |
| Heavy Atoms | 34 |
| Complexity | 743.0 |
Chemical Identifiers
| CAS Number | 80576-88-1 |
|---|---|
| SMILES | CC(C)(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
| InChIKey | UNDZSJQMMOCFIZ-AWEZNQCLSA-N |
Product Overview
10,10-Dimethyl-10-deazaaminopterin (CAS 80576-88-1), with molecular formula C22H25N7O5 and molecular weight 467.19 g/mol. IUPAC: (2S)-2-[[4-[1-(2,4-diaminopteridin-6-yl)-2-methylpropan-2-yl]benzoyl]amino]pentanedioic acid.
Chemical Property Profile of 10,10-Dimethyl-10-deazaaminopterin
Property Insights of 10,10-Dimethyl-10-deazaaminopterin
The XLogP value of -0.4 indicates that 10,10-Dimethyl-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 10,10-Dimethyl-10-deazaaminopterin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 10,10-Dimethyl-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 10,10-Dimethyl-10-deazaaminopterin?
The CAS number of 10,10-Dimethyl-10-deazaaminopterin is 80576-88-1.
What is the molecular formula of 10,10-Dimethyl-10-deazaaminopterin?
The molecular formula of 10,10-Dimethyl-10-deazaaminopterin is C22H25N7O5.
What is the molecular weight of 10,10-Dimethyl-10-deazaaminopterin?
The molecular weight of 10,10-Dimethyl-10-deazaaminopterin is 467.19 g/mol.
Where can I buy 10,10-Dimethyl-10-deazaaminopterin?
You can request a quote for 10,10-Dimethyl-10-deazaaminopterin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10,10-Dimethyl-10-deazaaminopterin?
Yes, KEHONG BIO provides custom synthesis services for 10,10-Dimethyl-10-deazaaminopterin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.