Lysine-iodosalicylyl-methotrexate
TL;DR: Lysine-iodosalicylyl-methotrexate (CAS 108919-01-3) is a chemical compound with molecular formula C28H29IN12O5 and molecular weight 738.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-6-[(4-azido-2-hydroxy-5-(125I)iodobenzoyl)amino]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]hexanoic acid
Also Known As: Lysine-iodosalicylyl-methotrexate, N(alpha)-(4-Amino-4-deoxy-10-methylpteroyl)-N(epsilon)-(4-azido-5-iodosalicylyl)lysine, L-Lysine, N6-(4-azido-2-hydroxy-5-(iodo-125I)benzoyl)-N2'-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, N6-(4-Azido-2-hydroxy-5-(iodo-125I)benzoyl)-N2'-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-L-lysine, (2S)-6-[(4-azido-2-hydroxy-5-(125I)iodanylbenzoyl)amino]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]hexanoic acid
| Molecular Formula | C28H29IN12O5 |
|---|---|
| Molecular Weight | 738.14 g/mol |
| LogP | 3.2559 |
| Topological Polar Surface Area | 271.33 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 738.143 |
| Heavy Atoms | 46 |
| Complexity | 1832.3986 |
Chemical Identifiers
| CAS Number | 108919-01-3 |
|---|---|
| SMILES | CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCCCNC(=O)C4=CC(=C(C=C4O)N=[N+]=[N-])[125I])C(=O)O |
Product Overview
Lysine-iodosalicylyl-methotrexate (CAS 108919-01-3), with molecular formula C28H29IN12O5 and molecular weight 738.14 g/mol. IUPAC: (2S)-6-[(4-azido-2-hydroxy-5-(125I)iodobenzoyl)amino]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]hexanoic acid.
Chemical Property Profile of Lysine-iodosalicylyl-methotrexate
Property Insights of Lysine-iodosalicylyl-methotrexate
The XLogP value of 3.2559 indicates that Lysine-iodosalicylyl-methotrexate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 271.33 Ų indicates high polarity, suggesting Lysine-iodosalicylyl-methotrexate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Lysine-iodosalicylyl-methotrexate has 6 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 Lysine-iodosalicylyl-methotrexate?
The CAS number of Lysine-iodosalicylyl-methotrexate is 108919-01-3.
What is the molecular formula of Lysine-iodosalicylyl-methotrexate?
The molecular formula of Lysine-iodosalicylyl-methotrexate is C28H29IN12O5.
What is the molecular weight of Lysine-iodosalicylyl-methotrexate?
The molecular weight of Lysine-iodosalicylyl-methotrexate is 738.14 g/mol.
Where can I buy Lysine-iodosalicylyl-methotrexate?
You can request a quote for Lysine-iodosalicylyl-methotrexate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lysine-iodosalicylyl-methotrexate?
Yes, KEHONG BIO provides custom synthesis services for Lysine-iodosalicylyl-methotrexate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.