Methotrexate-gamma-monoamide
TL;DR: Methotrexate-gamma-monoamide (CAS 64801-56-5) is a chemical compound with molecular formula C20H23N9O4 and molecular weight 453.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-5-amino-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxopentanoic acid
Also Known As: methotrexate, Methotrexate-gamma-monoamide, Methotrexate-, A-Monoamide, Replaced CAS registry number(s)_ 72973-93-4
| Molecular Formula | C20H23N9O4 |
|---|---|
| Molecular Weight | 453.19 g/mol |
| LogP | -2.5 |
| Topological Polar Surface Area | 216.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 453.1873 |
| Heavy Atoms | 33 |
| Complexity | 703.0 |
Chemical Identifiers
| CAS Number | 64801-56-5 |
|---|---|
| SMILES | CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)N)C(=O)O |
| InChIKey | YFSVPBJUHQLTIQ-ZDUSSCGKSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methotrexate-gamma-monoamide (CAS 64801-56-5), with molecular formula C20H23N9O4 and molecular weight 453.19 g/mol. IUPAC: (2S)-5-amino-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxopentanoic acid.
Chemical Property Profile of Methotrexate-gamma-monoamide
Property Insights of Methotrexate-gamma-monoamide
The XLogP value of -2.5 indicates that Methotrexate-gamma-monoamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 216.0 Ų indicates high polarity, suggesting Methotrexate-gamma-monoamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methotrexate-gamma-monoamide 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 Methotrexate-gamma-monoamide?
The CAS number of Methotrexate-gamma-monoamide is 64801-56-5.
What is the molecular formula of Methotrexate-gamma-monoamide?
The molecular formula of Methotrexate-gamma-monoamide is C20H23N9O4.
What is the molecular weight of Methotrexate-gamma-monoamide?
The molecular weight of Methotrexate-gamma-monoamide is 453.19 g/mol.
Where can I buy Methotrexate-gamma-monoamide?
You can request a quote for Methotrexate-gamma-monoamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methotrexate-gamma-monoamide?
Yes, KEHONG BIO provides custom synthesis services for Methotrexate-gamma-monoamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.