Lysine-methotrexate
TL;DR: Lysine-methotrexate (CAS 33986-33-3) is a chemical compound with molecular formula C21H27N9O3 and molecular weight 453.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-6-amino-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]hexanoic acid
Also Known As: Lysine-methotrexate, ADMPL, Methotrexate Impurity 2, L-Lysine, N2-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, N(alpha)-(p-Amino-4-deoxy-N(10)-methylpteroyl)lysine
| Molecular Formula | C21H27N9O3 |
|---|---|
| Molecular Weight | 453.22 g/mol |
| LogP | -3.9 |
| Topological Polar Surface Area | 199.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 453.2237 |
| Heavy Atoms | 33 |
| Complexity | 646.0 |
Chemical Identifiers
| CAS Number | 33986-33-3 |
|---|---|
| SMILES | CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCCCN)C(=O)O |
| InChIKey | XERJQLWAFDLUGV-HNNXBMFYSA-N |
Product Overview
Lysine-methotrexate (CAS 33986-33-3), with molecular formula C21H27N9O3 and molecular weight 453.22 g/mol. IUPAC: (2S)-6-amino-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]hexanoic acid.
Chemical Property Profile of Lysine-methotrexate
Property Insights of Lysine-methotrexate
The XLogP value of -3.9 indicates that Lysine-methotrexate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 199.0 Ų indicates high polarity, suggesting Lysine-methotrexate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Lysine-methotrexate 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 Lysine-methotrexate?
The CAS number of Lysine-methotrexate is 33986-33-3.
What is the molecular formula of Lysine-methotrexate?
The molecular formula of Lysine-methotrexate is C21H27N9O3.
What is the molecular weight of Lysine-methotrexate?
The molecular weight of Lysine-methotrexate is 453.22 g/mol.
Where can I buy Lysine-methotrexate?
You can request a quote for Lysine-methotrexate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lysine-methotrexate?
Yes, KEHONG BIO provides custom synthesis services for Lysine-methotrexate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.