2-((4-(((2,4-Diaminopteridin-6-yl)methyl)amino)phenyl)carbonylamino)-4-sulfobutanoic acid
TL;DR: 2-((4-(((2,4-Diaminopteridin-6-yl)methyl)amino)phenyl)carbonylamino)-4-sulfobutanoic acid (CAS 97998-55-5) is a chemical compound with molecular formula C18H20N8O6S and molecular weight 476.12 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)methylamino]benzoyl]amino]-4-sulfobutanoic acid
Also Known As: 2-((4-(((2,4-Diaminopteridin-6-yl)methyl)amino)phenyl)carbonylamino)-4-sulfobutanoic acid, 2-[(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}benzoyl)amino]-4-sulfobutanoic acid, 2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]-4-sulfobutanoic acid, 2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-4-sulfo-butyric acid, 2-(4-{[(4-Amino-2-imino-2,3-dihydropteridin-6-yl)methyl]amino}benzamido)-4-sulfobutanoic acid
| Molecular Formula | C18H20N8O6S |
|---|---|
| Molecular Weight | 476.12 g/mol |
| LogP | -2.6 |
| Topological Polar Surface Area | 245.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 476.12265 |
| Heavy Atoms | 33 |
| Complexity | 787.0 |
Chemical Identifiers
| CAS Number | 97998-55-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC(CCS(=O)(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N |
| InChIKey | ZLLDSRTXPHYVLX-UHFFFAOYSA-N |
Product Overview
2-((4-(((2,4-Diaminopteridin-6-yl)methyl)amino)phenyl)carbonylamino)-4-sulfobutanoic acid (CAS 97998-55-5), with molecular formula C18H20N8O6S and molecular weight 476.12 g/mol. IUPAC: 2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]-4-sulfobutanoic acid.
Chemical Property Profile of 2-((4-(((2,4-Diaminopteridin-6-yl)methyl)amino)phenyl)carbonylamino)-4-sulfobutanoic acid
Property Insights of 2-((4-(((2,4-Diaminopteridin-6-yl)methyl)amino)phenyl)carbonylamino)-4-sulfobutanoic acid
The XLogP value of -2.6 indicates that 2-((4-(((2,4-Diaminopteridin-6-yl)methyl)amino)phenyl)carbonylamino)-4-sulfobutanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 245.0 Ų indicates high polarity, suggesting 2-((4-(((2,4-Diaminopteridin-6-yl)methyl)amino)phenyl)carbonylamino)-4-sulfobutanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-((4-(((2,4-Diaminopteridin-6-yl)methyl)amino)phenyl)carbonylamino)-4-sulfobutanoic acid has 6 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 2-((4-(((2,4-Diaminopteridin-6-yl)methyl)amino)phenyl)carbonylamino)-4-sulfobutanoic acid?
The CAS number of 2-((4-(((2,4-Diaminopteridin-6-yl)methyl)amino)phenyl)carbonylamino)-4-sulfobutanoic acid is 97998-55-5.
What is the molecular formula of 2-((4-(((2,4-Diaminopteridin-6-yl)methyl)amino)phenyl)carbonylamino)-4-sulfobutanoic acid?
The molecular formula of 2-((4-(((2,4-Diaminopteridin-6-yl)methyl)amino)phenyl)carbonylamino)-4-sulfobutanoic acid is C18H20N8O6S.
What is the molecular weight of 2-((4-(((2,4-Diaminopteridin-6-yl)methyl)amino)phenyl)carbonylamino)-4-sulfobutanoic acid?
The molecular weight of 2-((4-(((2,4-Diaminopteridin-6-yl)methyl)amino)phenyl)carbonylamino)-4-sulfobutanoic acid is 476.12 g/mol.
Where can I buy 2-((4-(((2,4-Diaminopteridin-6-yl)methyl)amino)phenyl)carbonylamino)-4-sulfobutanoic acid?
You can request a quote for 2-((4-(((2,4-Diaminopteridin-6-yl)methyl)amino)phenyl)carbonylamino)-4-sulfobutanoic 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)methyl)amino)phenyl)carbonylamino)-4-sulfobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(((2,4-Diaminopteridin-6-yl)methyl)amino)phenyl)carbonylamino)-4-sulfobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.