Tetrahydromethotrexate
TL;DR: Tetrahydromethotrexate (CAS 4299-28-9) is a chemical compound with molecular formula C20H26N8O5 and molecular weight 458.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[4-[(2,4-diamino-5,6,7,8-tetrahydropteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
Also Known As: Tetrahydromethotrexate, Tetrahydroamethopterin, (2S)-2-[[4-[(2,4-diamino-5,6,7,8-tetrahydropteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid, (2S)-2-[[4-[(2,4-DIAMINO-5,6,7,8-TETRAHYDROPTERIDIN-6-YL)METHYL-METHYL-AMINO]BENZOYL]AMINO]PENTANEDIOIC ACID, (4-(((2,4-diamino-5,6,7,8-tetrahydropteridin-6-yl)methyl)(methyl)amino)benzoyl)-L-glutamic acid
| Molecular Formula | C20H26N8O5 |
|---|---|
| Molecular Weight | 458.20 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 209.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 458.2026 |
| Heavy Atoms | 33 |
| Complexity | 704.0 |
Chemical Identifiers
| CAS Number | 4299-28-9 |
|---|---|
| SMILES | CN(CC1CNC2=NC(=NC(=C2N1)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
| InChIKey | GLSBTKIRCIEEJO-YUZLPWPTSA-N |
Product Overview
Tetrahydromethotrexate (CAS 4299-28-9), with molecular formula C20H26N8O5 and molecular weight 458.20 g/mol. IUPAC: (2S)-2-[[4-[(2,4-diamino-5,6,7,8-tetrahydropteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid.
Chemical Property Profile of Tetrahydromethotrexate
Property Insights of Tetrahydromethotrexate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetrahydromethotrexate. The TPSA of 209.0 Ų indicates high polarity, suggesting Tetrahydromethotrexate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tetrahydromethotrexate has 7 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 Tetrahydromethotrexate?
The CAS number of Tetrahydromethotrexate is 4299-28-9.
What is the molecular formula of Tetrahydromethotrexate?
The molecular formula of Tetrahydromethotrexate is C20H26N8O5.
What is the molecular weight of Tetrahydromethotrexate?
The molecular weight of Tetrahydromethotrexate is 458.20 g/mol.
Where can I buy Tetrahydromethotrexate?
You can request a quote for Tetrahydromethotrexate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrahydromethotrexate?
Yes, KEHONG BIO provides custom synthesis services for Tetrahydromethotrexate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.