Talotrexin
TL;DR: Talotrexin (CAS 756887-91-9) is a chemical compound with molecular formula C27H27N9O6 and molecular weight 573.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]butyl]carbamoyl]benzoic acid
Also Known As: Talotrexin, Talotrexin [INN], PT523, PT 523, NCI60_006821
| Molecular Formula | C27H27N9O6 |
|---|---|
| Molecular Weight | 573.21 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 248.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Exact Mass | 573.20844 |
| Heavy Atoms | 42 |
| Complexity | 949.0 |
Chemical Identifiers
| CAS Number | 756887-91-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NCCCC(C(=O)O)NC(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=NC(=N4)N)N)C(=O)O |
| InChIKey | NYQPLPNEESYGNO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Talotrexin (CAS 756887-91-9), with molecular formula C27H27N9O6 and molecular weight 573.21 g/mol. IUPAC: 2-[[4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]butyl]carbamoyl]benzoic acid.
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
Frequently Asked Questions
What is the CAS number of Talotrexin?
The CAS number of Talotrexin is 756887-91-9.
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 573.21 g/mol.
Where can I buy Talotrexin?
You can request a quote for Talotrexin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Talotrexin?
Yes, KEHONG BIO provides custom synthesis services for Talotrexin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.