Methotrexate tetraglutamate
TL;DR: Methotrexate tetraglutamate (CAS 73610-81-8) is a chemical compound with molecular formula C35H43N11O14 and molecular weight 841.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-carboxy-4-[[4-carboxy-4-[[4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]pentanedioic acid
Also Known As: Methotrexate tetraglutamate, (2S)-2-[[(4S)-4-Carboxy-4-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]pentanedioic acid, 2-[[4-carboxy-4-[[4-carboxy-4-[[4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]pentanedioic acid, 2-[[4-[[4-[[4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]pentanedioic acid, 2-{4-Carboxy-4-[4-carboxy-4-(4-carboxy-4-{4-[(2,4-diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-butyrylamino)-butyrylamino]-butyrylamino}-pentanedioic acid
| Molecular Formula | C35H43N11O14 |
|---|---|
| Molecular Weight | 841.30 g/mol |
| LogP | -4.1 |
| Topological Polar Surface Area | 410.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 24 |
| Exact Mass | 841.2991 |
| Heavy Atoms | 60 |
| Complexity | 1560.0 |
Chemical Identifiers
| CAS Number | 73610-81-8 |
|---|---|
| SMILES | CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O |
| InChIKey | UORBZCNWEGKEOP-UHFFFAOYSA-N |
Product Overview
Methotrexate tetraglutamate (CAS 73610-81-8), with molecular formula C35H43N11O14 and molecular weight 841.30 g/mol. IUPAC: 2-[[4-carboxy-4-[[4-carboxy-4-[[4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]pentanedioic acid.
Chemical Property Profile of Methotrexate tetraglutamate
Property Insights of Methotrexate tetraglutamate
The XLogP value of -4.1 indicates that Methotrexate tetraglutamate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 410.0 Ų indicates high polarity, suggesting Methotrexate tetraglutamate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methotrexate tetraglutamate has 11 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methotrexate tetraglutamate?
The CAS number of Methotrexate tetraglutamate is 73610-81-8.
What is the molecular formula of Methotrexate tetraglutamate?
The molecular formula of Methotrexate tetraglutamate is C35H43N11O14.
What is the molecular weight of Methotrexate tetraglutamate?
The molecular weight of Methotrexate tetraglutamate is 841.30 g/mol.
Where can I buy Methotrexate tetraglutamate?
You can request a quote for Methotrexate tetraglutamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methotrexate tetraglutamate?
Yes, KEHONG BIO provides custom synthesis services for Methotrexate tetraglutamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.