Talotrexin
TL;DR: Talotrexin (CAS 113857-87-7) is a chemical compound with molecular formula C27H27N9O6 and molecular weight 573.20844 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]butyl]carbamoyl]benzoic acid
Also Known As: Talotrexin, talotrexina, talotrexine, talotrexinum, Talopterin
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C27H27N9O6 |
| Molecular Weight | 573.20844 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 248.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Exact Mass | 573.20844 Da |
| Heavy Atoms | 42 |
| Complexity | 949.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)NCCC[C@@H](C(=O)O)NC(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=NC(=N4)N)N)C(=O)O |
| InChIKey | NYQPLPNEESYGNO-IBGZPJMESA-N |
Chemical Property Profile of Talotrexin
Property Insights of Talotrexin
The XLogP value of -0.6 indicates that Talotrexin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 248.0 Ų indicates high polarity, suggesting Talotrexin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Talotrexin has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Talotrexin?
The CAS number of Talotrexin is 113857-87-7.
What is the molecular formula of Talotrexin?
The molecular formula of Talotrexin is C27H27N9O6.
What is the molecular weight of Talotrexin?
The molecular weight of Talotrexin is 573.20844 g/mol.
Where can I buy Talotrexin?
You can request a quote for Talotrexin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Talotrexin?
Yes, CoreyChem provides custom synthesis services for Talotrexin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.