Methotrexate-alpha glutamate
TL;DR: Methotrexate-alpha glutamate (CAS 71074-49-2) is a chemical compound with molecular formula C25H29N9O8 and molecular weight 583.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-carboxy-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid
Also Known As: Meapa-glu-glu, Methotrexate-alpha glutamate, SID:53790809, L-Glutamic acid, N-(N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-L-alpha-glutamyl)-, 2-[[4-carboxy-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid
| Molecular Formula | C25H29N9O8 |
|---|---|
| Molecular Weight | 583.21 g/mol |
| LogP | -2.6 |
| Topological Polar Surface Area | 277.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 14 |
| Exact Mass | 583.2139 |
| Heavy Atoms | 42 |
| Complexity | 980.0 |
Chemical Identifiers
| CAS Number | 71074-49-2 |
|---|---|
| SMILES | CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)O |
| InChIKey | GCHKEUJNMCBNBS-UHFFFAOYSA-N |
Product Overview
Methotrexate-alpha glutamate (CAS 71074-49-2), with molecular formula C25H29N9O8 and molecular weight 583.21 g/mol. IUPAC: 2-[[4-carboxy-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid.
Chemical Property Profile of Methotrexate-alpha glutamate
Property Insights of Methotrexate-alpha glutamate
The XLogP value of -2.6 indicates that Methotrexate-alpha glutamate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 277.0 Ų indicates high polarity, suggesting Methotrexate-alpha glutamate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methotrexate-alpha glutamate has 7 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methotrexate-alpha glutamate?
The CAS number of Methotrexate-alpha glutamate is 71074-49-2.
What is the molecular formula of Methotrexate-alpha glutamate?
The molecular formula of Methotrexate-alpha glutamate is C25H29N9O8.
What is the molecular weight of Methotrexate-alpha glutamate?
The molecular weight of Methotrexate-alpha glutamate is 583.21 g/mol.
Where can I buy Methotrexate-alpha glutamate?
You can request a quote for Methotrexate-alpha glutamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methotrexate-alpha glutamate?
Yes, KEHONG BIO provides custom synthesis services for Methotrexate-alpha glutamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.