2,4-Diamino-6-chloromethylpteridine hydrochloride
TL;DR: 2,4-Diamino-6-chloromethylpteridine hydrochloride (CAS 82778-08-3) is a chemical compound with molecular formula C7H8Cl2N6 and molecular weight 246.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(chloromethyl)pteridine-2,4-diamine;hydrochloride
Also Known As: Methotrexate Impurity 21, 2,4-Dcmpt, 6-(Chloromethyl)pteridine-2,4-diamine monohydrochloride, Methotrexate Impurity 32, 6-(chloromethyl)pteridine-2,4-diamine hydrochloride
| Molecular Formula | C7H8Cl2N6 |
|---|---|
| Molecular Weight | 246.02 g/mol |
| LogP | 0.7448 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.01875 |
| Heavy Atoms | 15 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 82778-08-3 |
|---|---|
| SMILES | C1=C(N=C2C(=NC(=NC2=N1)N)N)CCl.Cl |
| InChIKey | SDZKFWPFFHILFI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Diamino-6-chloromethylpteridine hydrochloride (CAS 82778-08-3), with molecular formula C7H8Cl2N6 and molecular weight 246.02 g/mol. IUPAC: 6-(chloromethyl)pteridine-2,4-diamine;hydrochloride.
Chemical Property Profile of 2,4-Diamino-6-chloromethylpteridine hydrochloride
Property Insights of 2,4-Diamino-6-chloromethylpteridine hydrochloride
The XLogP value of 0.7448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Diamino-6-chloromethylpteridine hydrochloride. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Diamino-6-chloromethylpteridine hydrochloride. Following Lipinski's Rule of Five, 2,4-Diamino-6-chloromethylpteridine hydrochloride has 3 hydrogen bond donor(s) and 6 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-Diamino-6-chloromethylpteridine hydrochloride?
The CAS number of 2,4-Diamino-6-chloromethylpteridine hydrochloride is 82778-08-3.
What is the molecular formula of 2,4-Diamino-6-chloromethylpteridine hydrochloride?
The molecular formula of 2,4-Diamino-6-chloromethylpteridine hydrochloride is C7H8Cl2N6.
What is the molecular weight of 2,4-Diamino-6-chloromethylpteridine hydrochloride?
The molecular weight of 2,4-Diamino-6-chloromethylpteridine hydrochloride is 246.02 g/mol.
Where can I buy 2,4-Diamino-6-chloromethylpteridine hydrochloride?
You can request a quote for 2,4-Diamino-6-chloromethylpteridine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Diamino-6-chloromethylpteridine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Diamino-6-chloromethylpteridine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.