4-(n-(2,4-diamino-6-pteridinylmethyl)amino)benzoic acid sodium salt
TL;DR: 4-(n-(2,4-diamino-6-pteridinylmethyl)amino)benzoic acid sodium salt (CAS 100929-45-1) is a chemical compound with molecular formula C14H12N7NaO2 and molecular weight 333.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 4-[(2,4-diaminopteridin-6-yl)methylamino]benzoate
Also Known As: 4-Amino-4-deoxypteroic acid, sodium 4-{[(2,4-diaminopteridin-6-yl)methyl]amino}benzoate, SODIUM 4-(((2,4-DIAMINOPTERIDIN-6-YL)METHYL)AMINO)BENZOATE, 4-(N-[2,4-Diamino-6-pteridinylmethyl]amino)benzoic acid sodium salt, 4-Amino-4-deoxypteroic acid sodium salt
| Molecular Formula | C14H12N7NaO2 |
|---|---|
| Molecular Weight | 333.10 g/mol |
| LogP | -3.4362 |
| Topological Polar Surface Area | 155.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.09503 |
| Heavy Atoms | 24 |
| Complexity | 886.1754 |
Chemical Identifiers
| CAS Number | 100929-45-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)[O-])NCC2=CN=C3C(=N2)C(=NC(=N3)N)N.[Na+] |
Product Overview
4-(n-(2,4-diamino-6-pteridinylmethyl)amino)benzoic acid sodium salt (CAS 100929-45-1), with molecular formula C14H12N7NaO2 and molecular weight 333.10 g/mol. IUPAC: sodium 4-[(2,4-diaminopteridin-6-yl)methylamino]benzoate.
Chemical Property Profile of 4-(n-(2,4-diamino-6-pteridinylmethyl)amino)benzoic acid sodium salt
Property Insights of 4-(n-(2,4-diamino-6-pteridinylmethyl)amino)benzoic acid sodium salt
The XLogP value of -3.4362 indicates that 4-(n-(2,4-diamino-6-pteridinylmethyl)amino)benzoic acid sodium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 155.76 Ų indicates high polarity, suggesting 4-(n-(2,4-diamino-6-pteridinylmethyl)amino)benzoic acid sodium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(n-(2,4-diamino-6-pteridinylmethyl)amino)benzoic acid sodium salt has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(n-(2,4-diamino-6-pteridinylmethyl)amino)benzoic acid sodium salt?
The CAS number of 4-(n-(2,4-diamino-6-pteridinylmethyl)amino)benzoic acid sodium salt is 100929-45-1.
What is the molecular formula of 4-(n-(2,4-diamino-6-pteridinylmethyl)amino)benzoic acid sodium salt?
The molecular formula of 4-(n-(2,4-diamino-6-pteridinylmethyl)amino)benzoic acid sodium salt is C14H12N7NaO2.
What is the molecular weight of 4-(n-(2,4-diamino-6-pteridinylmethyl)amino)benzoic acid sodium salt?
The molecular weight of 4-(n-(2,4-diamino-6-pteridinylmethyl)amino)benzoic acid sodium salt is 333.10 g/mol.
Where can I buy 4-(n-(2,4-diamino-6-pteridinylmethyl)amino)benzoic acid sodium salt?
You can request a quote for 4-(n-(2,4-diamino-6-pteridinylmethyl)amino)benzoic acid sodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(n-(2,4-diamino-6-pteridinylmethyl)amino)benzoic acid sodium salt?
Yes, KEHONG BIO provides custom synthesis services for 4-(n-(2,4-diamino-6-pteridinylmethyl)amino)benzoic acid sodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.