gamma-tert-Butyl methotrexate
TL;DR: gamma-tert-Butyl methotrexate (CAS 79640-76-9) is a chemical compound with molecular formula C24H30N8O5 and molecular weight 510.23 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-methylamino]benzoyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
Also Known As: gamma-Tbmtx, gamma-tert-Butyl methotrexate, 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid, (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid, L-Glutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, 5-(1,1-dimethylethyl) ester
| Molecular Formula | C24H30N8O5 |
|---|---|
| Molecular Weight | 510.23 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 200.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 510.23392 |
| Heavy Atoms | 37 |
| Complexity | 800.0 |
Chemical Identifiers
| CAS Number | 79640-76-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CCC(C(=O)O)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N |
| InChIKey | AHTGHRYUTABCAE-UHFFFAOYSA-N |
Product Overview
gamma-tert-Butyl methotrexate (CAS 79640-76-9), with molecular formula C24H30N8O5 and molecular weight 510.23 g/mol. IUPAC: 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.
Chemical Property Profile of gamma-tert-Butyl methotrexate
Property Insights of gamma-tert-Butyl methotrexate
The XLogP value of -0.5 indicates that gamma-tert-Butyl methotrexate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 200.0 Ų indicates high polarity, suggesting gamma-tert-Butyl methotrexate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, gamma-tert-Butyl methotrexate has 4 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 gamma-tert-Butyl methotrexate?
The CAS number of gamma-tert-Butyl methotrexate is 79640-76-9.
What is the molecular formula of gamma-tert-Butyl methotrexate?
The molecular formula of gamma-tert-Butyl methotrexate is C24H30N8O5.
What is the molecular weight of gamma-tert-Butyl methotrexate?
The molecular weight of gamma-tert-Butyl methotrexate is 510.23 g/mol.
Where can I buy gamma-tert-Butyl methotrexate?
You can request a quote for gamma-tert-Butyl methotrexate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for gamma-tert-Butyl methotrexate?
Yes, KEHONG BIO provides custom synthesis services for gamma-tert-Butyl methotrexate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.