gamma-tert-Butyl aminopterin
TL;DR: gamma-tert-Butyl aminopterin (CAS 95484-98-3) is a chemical compound with molecular formula C23H28N8O5 and molecular weight 496.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
Also Known As: gamma-Tbamt, gamma-tert-Butyl aminopterin, (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid, L-Glutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)amino)benzoyl)-, 5-(1,1-dimethylethyl) ester, RefChem:142361
| Molecular Formula | C23H28N8O5 |
|---|---|
| Molecular Weight | 496.22 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 208.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 496.21826 |
| Heavy Atoms | 36 |
| Complexity | 770.0 |
Chemical Identifiers
| CAS Number | 95484-98-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CC[C@@H](C(=O)O)NC(=O)C1=CC=C(C=C1)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N |
| InChIKey | XNVKVOKOYAOROU-HNNXBMFYSA-N |
Product Overview
gamma-tert-Butyl aminopterin (CAS 95484-98-3), with molecular formula C23H28N8O5 and molecular weight 496.22 g/mol. IUPAC: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.
Chemical Property Profile of gamma-tert-Butyl aminopterin
Property Insights of gamma-tert-Butyl aminopterin
The XLogP value of -0.7 indicates that gamma-tert-Butyl aminopterin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 208.0 Ų indicates high polarity, suggesting gamma-tert-Butyl aminopterin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, gamma-tert-Butyl aminopterin 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 gamma-tert-Butyl aminopterin?
The CAS number of gamma-tert-Butyl aminopterin is 95484-98-3.
What is the molecular formula of gamma-tert-Butyl aminopterin?
The molecular formula of gamma-tert-Butyl aminopterin is C23H28N8O5.
What is the molecular weight of gamma-tert-Butyl aminopterin?
The molecular weight of gamma-tert-Butyl aminopterin is 496.22 g/mol.
Where can I buy gamma-tert-Butyl aminopterin?
You can request a quote for gamma-tert-Butyl aminopterin 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 aminopterin?
Yes, KEHONG BIO provides custom synthesis services for gamma-tert-Butyl aminopterin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.