6-((苯硫基)甲基)蝶啶-2,4-二胺
TL;DR: 6-((苯硫基)甲基)蝶啶-2,4-二胺 (CAS 57963-58-3) is a chemical compound with molecular formula C13H12N6S and molecular weight 284.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-((苯硫基)甲基)蝶啶-2,4-二胺
6-(phenylsulfanylmethyl)pteridine-2,4-diamine
Also Known As: 2,4-Diamino-6-phenylthiomethyl-pteridine, 2,4-Pteridinediamine, 6-((phenylthio)methyl)-, Nc1nc(N)nc2ncc(CSc3ccccc3)nc12, 6-((Phenylthio)methyl)-2,4-pteridinediamine, 6-(phenylsulfanylmethyl)pteridine-2,4-diamine
| Molecular Formula | C13H12N6S |
|---|---|
| Molecular Weight | 284.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.0844 |
| Heavy Atoms | 20 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 57963-58-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCC2=CN=C3C(=N2)C(=NC(=N3)N)N |
| InChIKey | ZJOATKLQTCGUSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-((苯硫基)甲基)蝶啶-2,4-二胺 (CAS 57963-58-3), with molecular formula C13H12N6S and molecular weight 284.08 g/mol. IUPAC: 6-(phenylsulfanylmethyl)pteridine-2,4-diamine.
Chemical Property Profile of 6-((苯硫基)甲基)蝶啶-2,4-二胺
Property Insights of 6-((苯硫基)甲基)蝶啶-2,4-二胺
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-((苯硫基)甲基)蝶啶-2,4-二胺. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-((苯硫基)甲基)蝶啶-2,4-二胺. Following Lipinski's Rule of Five, 6-((苯硫基)甲基)蝶啶-2,4-二胺 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 6-((苯硫基)甲基)蝶啶-2,4-二胺?
The CAS number of 6-((苯硫基)甲基)蝶啶-2,4-二胺 is 57963-58-3.
What is the molecular formula of 6-((苯硫基)甲基)蝶啶-2,4-二胺?
The molecular formula of 6-((苯硫基)甲基)蝶啶-2,4-二胺 is C13H12N6S.
What is the molecular weight of 6-((苯硫基)甲基)蝶啶-2,4-二胺?
The molecular weight of 6-((苯硫基)甲基)蝶啶-2,4-二胺 is 284.08 g/mol.
Where can I buy 6-((苯硫基)甲基)蝶啶-2,4-二胺?
You can request a quote for 6-((苯硫基)甲基)蝶啶-2,4-二胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-((苯硫基)甲基)蝶啶-2,4-二胺?
Yes, KEHONG BIO provides custom synthesis services for 6-((苯硫基)甲基)蝶啶-2,4-二胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.