![2-[[4-[(2,4-Diaminopteridin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid structure](/static/products/5652/56527-31-2.webp)
2-[[4-[(2,4-Diaminopteridin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid
TL;DR: 2-[[4-[(2,4-Diaminopteridin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid (CAS 56527-31-2) is a chemical compound with molecular formula C19H19N7O5S and molecular weight 457.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[(2,4-diaminopteridin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid
Also Known As: 2-[[4-[(2,4-diaminopteridin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid, N-(4-{[(2,4-Diaminopteridin-6-yl)methyl]sulfanyl}benzoyl)glutamic acid, 2-[4-(2,4-Diamino-pteridin-6-ylmethylsulfanyl)-benzoylamino]-pentanedioic acid, 2-[4-(2,4-Diamino-pteridin-6-ylmethylsulfanyl)-benzoylamino]-pentanedioic acid (10-Thioaminopterin)
| Molecular Formula | C19H19N7O5S |
|---|---|
| Molecular Weight | 457.12 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 233.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 457.11685 |
| Heavy Atoms | 32 |
| Complexity | 678.0 |
Chemical Identifiers
| CAS Number | 56527-31-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)SCC2=CN=C3C(=N2)C(=NC(=N3)N)N |
| InChIKey | HLKMUFLREZOGEC-UHFFFAOYSA-N |
Product Overview
2-[[4-[(2,4-Diaminopteridin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid (CAS 56527-31-2), with molecular formula C19H19N7O5S and molecular weight 457.12 g/mol. IUPAC: 2-[[4-[(2,4-diaminopteridin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid.
Chemical Property Profile of 2-[[4-[(2,4-Diaminopteridin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid
Property Insights of 2-[[4-[(2,4-Diaminopteridin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid
The XLogP value of -1.5 indicates that 2-[[4-[(2,4-Diaminopteridin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 233.0 Ų indicates high polarity, suggesting 2-[[4-[(2,4-Diaminopteridin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[[4-[(2,4-Diaminopteridin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid 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 2-[[4-[(2,4-Diaminopteridin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid?
The CAS number of 2-[[4-[(2,4-Diaminopteridin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid is 56527-31-2.
What is the molecular formula of 2-[[4-[(2,4-Diaminopteridin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid?
The molecular formula of 2-[[4-[(2,4-Diaminopteridin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid is C19H19N7O5S.
What is the molecular weight of 2-[[4-[(2,4-Diaminopteridin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid?
The molecular weight of 2-[[4-[(2,4-Diaminopteridin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid is 457.12 g/mol.
Where can I buy 2-[[4-[(2,4-Diaminopteridin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid?
You can request a quote for 2-[[4-[(2,4-Diaminopteridin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[4-[(2,4-Diaminopteridin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4-[(2,4-Diaminopteridin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.