Lysine-iodoacetylmethotrexate
TL;DR: Lysine-iodoacetylmethotrexate (CAS 34086-67-4) is a chemical compound with molecular formula C23H28IN9O4 and molecular weight 621.13 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)methyl-methylamino]benzoyl]amino]-6-[(2-iodoacetyl)amino]hexanoic acid
Also Known As: Lysine-iodoacetylmethotrexate, Lysine iodoacetylmethotrexate, Lysine-iodoacetyl-methotrexate, L-Lysine, N2-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-N6-(iodoacetyl)-, (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-6-[(2-iodoacetyl)amino]hexanoic acid
| Molecular Formula | C23H28IN9O4 |
|---|---|
| Molecular Weight | 621.13 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 621.1309 |
| Heavy Atoms | 37 |
| Complexity | 770.0 |
Chemical Identifiers
| CAS Number | 34086-67-4 |
|---|---|
| SMILES | CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCCCNC(=O)CI)C(=O)O |
| InChIKey | NDRPUTRIAJPVPS-INIZCTEOSA-N |
Product Overview
Lysine-iodoacetylmethotrexate (CAS 34086-67-4), with molecular formula C23H28IN9O4 and molecular weight 621.13 g/mol. IUPAC: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-6-[(2-iodoacetyl)amino]hexanoic acid.
Chemical Property Profile of Lysine-iodoacetylmethotrexate
Property Insights of Lysine-iodoacetylmethotrexate
The XLogP value of -0.6 indicates that Lysine-iodoacetylmethotrexate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 202.0 Ų indicates high polarity, suggesting Lysine-iodoacetylmethotrexate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Lysine-iodoacetylmethotrexate 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-iodoacetylmethotrexate?
The CAS number of Lysine-iodoacetylmethotrexate is 34086-67-4.
What is the molecular formula of Lysine-iodoacetylmethotrexate?
The molecular formula of Lysine-iodoacetylmethotrexate is C23H28IN9O4.
What is the molecular weight of Lysine-iodoacetylmethotrexate?
The molecular weight of Lysine-iodoacetylmethotrexate is 621.13 g/mol.
Where can I buy Lysine-iodoacetylmethotrexate?
You can request a quote for Lysine-iodoacetylmethotrexate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lysine-iodoacetylmethotrexate?
Yes, KEHONG BIO provides custom synthesis services for Lysine-iodoacetylmethotrexate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.