![6-[(4-Chloroanilino)methyl]pteridine-2,4-diamine structure](/static/products/5796/57963-46-9.webp)
6-[(4-Chloroanilino)methyl]pteridine-2,4-diamine
TL;DR: 6-[(4-Chloroanilino)methyl]pteridine-2,4-diamine (CAS 57963-46-9) is a chemical compound with molecular formula C13H12ClN7 and molecular weight 301.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4-chloroanilino)methyl]pteridine-2,4-diamine
Also Known As: 2,4-Diaminopteridine der., 6-[(4-chloroanilino)methyl]pteridine-2,4-diamine, 6-[(4-Chloro-phenylamino)-methyl]-pteridine-2,4-diamine, 2,4-Pteridinediamino, 6-[(4-chlorophenylamino)methyl], 0.5 hydrate
| Molecular Formula | C13H12ClN7 |
|---|---|
| Molecular Weight | 301.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.08426 |
| Heavy Atoms | 21 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 57963-46-9 |
|---|---|
| SMILES | C1=CC(=CC=C1NCC2=CN=C3C(=N2)C(=NC(=N3)N)N)Cl |
| InChIKey | GQYLDCYVZGDUET-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-[(4-Chloroanilino)methyl]pteridine-2,4-diamine (CAS 57963-46-9), with molecular formula C13H12ClN7 and molecular weight 301.08 g/mol. IUPAC: 6-[(4-chloroanilino)methyl]pteridine-2,4-diamine.
Chemical Property Profile of 6-[(4-Chloroanilino)methyl]pteridine-2,4-diamine
Property Insights of 6-[(4-Chloroanilino)methyl]pteridine-2,4-diamine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-[(4-Chloroanilino)methyl]pteridine-2,4-diamine. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[(4-Chloroanilino)methyl]pteridine-2,4-diamine. Following Lipinski's Rule of Five, 6-[(4-Chloroanilino)methyl]pteridine-2,4-diamine has 3 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 6-[(4-Chloroanilino)methyl]pteridine-2,4-diamine?
The CAS number of 6-[(4-Chloroanilino)methyl]pteridine-2,4-diamine is 57963-46-9.
What is the molecular formula of 6-[(4-Chloroanilino)methyl]pteridine-2,4-diamine?
The molecular formula of 6-[(4-Chloroanilino)methyl]pteridine-2,4-diamine is C13H12ClN7.
What is the molecular weight of 6-[(4-Chloroanilino)methyl]pteridine-2,4-diamine?
The molecular weight of 6-[(4-Chloroanilino)methyl]pteridine-2,4-diamine is 301.08 g/mol.
Where can I buy 6-[(4-Chloroanilino)methyl]pteridine-2,4-diamine?
You can request a quote for 6-[(4-Chloroanilino)methyl]pteridine-2,4-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[(4-Chloroanilino)methyl]pteridine-2,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for 6-[(4-Chloroanilino)methyl]pteridine-2,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.