2,4-Pteridinediamine, 6-((methylphenylamino)methyl)-
TL;DR: 2,4-Pteridinediamine, 6-((methylphenylamino)methyl)- (CAS 57963-47-0) is a chemical compound with molecular formula C14H15N7 and molecular weight 281.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(N-methylanilino)methyl]pteridine-2,4-diamine
Also Known As: methotrexate, 2,4-Pteridinediamine, 6-((methylphenylamino)methyl)-, Nc1nc(N)nc2ncc(CN(C)c3ccccc3)nc12, 6-[(N-methylanilino)methyl]pteridine-2,4-diamine, 6-((Methylphenylamino)methyl)-2,4-pteridinediamine
| Molecular Formula | C14H15N7 |
|---|---|
| Molecular Weight | 281.14 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.1389 |
| Heavy Atoms | 21 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 57963-47-0 |
|---|---|
| SMILES | CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=CC=C3 |
| InChIKey | CMGMRTNWNJMOJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Pteridinediamine, 6-((methylphenylamino)methyl)- (CAS 57963-47-0), with molecular formula C14H15N7 and molecular weight 281.14 g/mol. IUPAC: 6-[(N-methylanilino)methyl]pteridine-2,4-diamine.
Chemical Property Profile of 2,4-Pteridinediamine, 6-((methylphenylamino)methyl)-
Property Insights of 2,4-Pteridinediamine, 6-((methylphenylamino)methyl)-
The XLogP value of -0.6 indicates that 2,4-Pteridinediamine, 6-((methylphenylamino)methyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Pteridinediamine, 6-((methylphenylamino)methyl)-. Following Lipinski's Rule of Five, 2,4-Pteridinediamine, 6-((methylphenylamino)methyl)- has 2 hydrogen bond donor(s) and 7 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 2,4-Pteridinediamine, 6-((methylphenylamino)methyl)-?
The CAS number of 2,4-Pteridinediamine, 6-((methylphenylamino)methyl)- is 57963-47-0.
What is the molecular formula of 2,4-Pteridinediamine, 6-((methylphenylamino)methyl)-?
The molecular formula of 2,4-Pteridinediamine, 6-((methylphenylamino)methyl)- is C14H15N7.
What is the molecular weight of 2,4-Pteridinediamine, 6-((methylphenylamino)methyl)-?
The molecular weight of 2,4-Pteridinediamine, 6-((methylphenylamino)methyl)- is 281.14 g/mol.
Where can I buy 2,4-Pteridinediamine, 6-((methylphenylamino)methyl)-?
You can request a quote for 2,4-Pteridinediamine, 6-((methylphenylamino)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Pteridinediamine, 6-((methylphenylamino)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Pteridinediamine, 6-((methylphenylamino)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.