氨基蝶呤
TL;DR: 氨基蝶呤 (CAS 6320-55-4) is a chemical compound with molecular formula C19H20N8O5 and molecular weight 440.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氨基蝶呤
(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
Also Known As: aminopterin, 4-Aminofolic acid, Aminopterine, 4-Amino-PGA, Pteramina
| Molecular Formula | C19H20N8O5 |
|---|---|
| Molecular Weight | 440.16 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 219.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 440.15567 |
| Heavy Atoms | 32 |
| Complexity | 674.0 |
| Melting Point | 225 |
| Solubility | 3.0X103 mg/L |
| Vapor Pressure | 2.3X10-19 mg Hg at 25 °C /Estimated/ |
Chemical Identifiers
| CAS Number | 6320-55-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N |
| InChIKey | TVZGACDUOSZQKY-LBPRGKRZSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氨基蝶呤 (CAS 6320-55-4), with molecular formula C19H20N8O5 and molecular weight 440.16 g/mol. IUPAC: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid.
Chemical Property Profile of 氨基蝶呤
Property Insights of 氨基蝶呤
The XLogP value of -2.0 indicates that 氨基蝶呤 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 219.0 Ų indicates high polarity, suggesting 氨基蝶呤 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 氨基蝶呤 has 6 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 氨基蝶呤?
The CAS number of 氨基蝶呤 is 6320-55-4.
What is the molecular formula of 氨基蝶呤?
The molecular formula of 氨基蝶呤 is C19H20N8O5.
What is the molecular weight of 氨基蝶呤?
The molecular weight of 氨基蝶呤 is 440.16 g/mol.
Where can I buy 氨基蝶呤?
You can request a quote for 氨基蝶呤 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氨基蝶呤?
Yes, KEHONG BIO provides custom synthesis services for 氨基蝶呤 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.