氨甲蝶呤
TL;DR: 氨甲蝶呤 (CAS 59-05-2) is a chemical compound with molecular formula C20H22N8O5 and molecular weight 454.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氨甲蝶呤
3-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
Also Known As: 3-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)amino]pentanedioic acid, 3-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl], 3-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid, 3-(4-{[(2,4-Diaminopteridin-6-yl)methyl](methyl)amino}benzamido)pentanedioic acid, 3-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
| Molecular Formula | C20H22N8O5 |
|---|---|
| Molecular Weight | 454.17 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 211.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 454.17133 |
| Heavy Atoms | 33 |
| Complexity | 688.0 |
Chemical Identifiers
| CAS Number | 59-05-2 |
|---|---|
| SMILES | CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CC(=O)O)CC(=O)O |
| InChIKey | XGUYWWCTJUKORI-UHFFFAOYSA-N |
Product Overview
氨甲蝶呤 (CAS 59-05-2), with molecular formula C20H22N8O5 and molecular weight 454.17 g/mol. IUPAC: 3-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid.
Chemical Property Profile of 氨甲蝶呤
Property Insights of 氨甲蝶呤
The XLogP value of -2.3 indicates that 氨甲蝶呤 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 211.0 Ų indicates high polarity, suggesting 氨甲蝶呤 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 氨甲蝶呤 has 5 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 氨甲蝶呤?
The CAS number of 氨甲蝶呤 is 59-05-2.
What is the molecular formula of 氨甲蝶呤?
The molecular formula of 氨甲蝶呤 is C20H22N8O5.
What is the molecular weight of 氨甲蝶呤?
The molecular weight of 氨甲蝶呤 is 454.17 g/mol.
Where can I buy 氨甲蝶呤?
You can request a quote for 氨甲蝶呤 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氨甲蝶呤?
Yes, KEHONG BIO provides custom synthesis services for 氨甲蝶呤 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.