2,4-Pteridinediamine, 6-((3-chlorophenylthio)methyl)
TL;DR: 2,4-Pteridinediamine, 6-((3-chlorophenylthio)methyl) (CAS 174654-78-5) is a chemical compound with molecular formula C13H11ClN6S and molecular weight 318.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(3-chlorophenyl)sulfanylmethyl]pteridine-2,4-diamine
Also Known As: 2,4-Pteridinediamine, 6-((3-chlorophenylthio)methyl), 6-[(3-chlorophenyl)sulfanylmethyl]pteridine-2,4-diamine, 2,4-Pteridinediamine, 6-[(3-chlorophenylthio)methyl], 6-(3-Chloro-phenylsulfanylmethyl)-pteridine-2,4-diamine, 6-{[(3-CHLOROPHENYL)SULFANYL]METHYL}PTERIDINE-2,4-DIAMINE
| Molecular Formula | C13H11ClN6S |
|---|---|
| Molecular Weight | 318.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.04544 |
| Heavy Atoms | 21 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 174654-78-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)SCC2=CN=C3C(=N2)C(=NC(=N3)N)N |
| InChIKey | XHWJTTUZCGFEJM-UHFFFAOYSA-N |
Product Overview
2,4-Pteridinediamine, 6-((3-chlorophenylthio)methyl) (CAS 174654-78-5), with molecular formula C13H11ClN6S and molecular weight 318.05 g/mol. IUPAC: 6-[(3-chlorophenyl)sulfanylmethyl]pteridine-2,4-diamine.
Chemical Property Profile of 2,4-Pteridinediamine, 6-((3-chlorophenylthio)methyl)
Property Insights of 2,4-Pteridinediamine, 6-((3-chlorophenylthio)methyl)
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Pteridinediamine, 6-((3-chlorophenylthio)methyl). The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Pteridinediamine, 6-((3-chlorophenylthio)methyl). Following Lipinski's Rule of Five, 2,4-Pteridinediamine, 6-((3-chlorophenylthio)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-((3-chlorophenylthio)methyl)?
The CAS number of 2,4-Pteridinediamine, 6-((3-chlorophenylthio)methyl) is 174654-78-5.
What is the molecular formula of 2,4-Pteridinediamine, 6-((3-chlorophenylthio)methyl)?
The molecular formula of 2,4-Pteridinediamine, 6-((3-chlorophenylthio)methyl) is C13H11ClN6S.
What is the molecular weight of 2,4-Pteridinediamine, 6-((3-chlorophenylthio)methyl)?
The molecular weight of 2,4-Pteridinediamine, 6-((3-chlorophenylthio)methyl) is 318.05 g/mol.
Where can I buy 2,4-Pteridinediamine, 6-((3-chlorophenylthio)methyl)?
You can request a quote for 2,4-Pteridinediamine, 6-((3-chlorophenylthio)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-((3-chlorophenylthio)methyl)?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Pteridinediamine, 6-((3-chlorophenylthio)methyl) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.