(6-(Methylthio)-9H-purin-8-yl)(phenyl)methanol
TL;DR: (6-(Methylthio)-9H-purin-8-yl)(phenyl)methanol (CAS 4460-08-6) is a chemical compound with molecular formula C13H12N4OS and molecular weight 272.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-methylsulfanyl-7H-purin-8-yl)-phenylmethanol
Also Known As: NCIOpen2_004423, (6-(Methylthio)-9H-purin-8-yl)(phenyl)methanol, (6-methylsulfanyl-7H-purin-8-yl)-phenylmethanol, (6-methylsulfanyl-9H-purin-8-yl)-phenyl-methanol
| Molecular Formula | C13H12N4OS |
|---|---|
| Molecular Weight | 272.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.07318 |
| Heavy Atoms | 19 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 4460-08-6 |
|---|---|
| SMILES | CSC1=NC=NC2=C1NC(=N2)C(C3=CC=CC=C3)O |
| InChIKey | YDPUBZKHLHSVKI-UHFFFAOYSA-N |
Product Overview
(6-(Methylthio)-9H-purin-8-yl)(phenyl)methanol (CAS 4460-08-6), with molecular formula C13H12N4OS and molecular weight 272.07 g/mol. IUPAC: (6-methylsulfanyl-7H-purin-8-yl)-phenylmethanol.
Chemical Property Profile of (6-(Methylthio)-9H-purin-8-yl)(phenyl)methanol
Property Insights of (6-(Methylthio)-9H-purin-8-yl)(phenyl)methanol
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-(Methylthio)-9H-purin-8-yl)(phenyl)methanol. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (6-(Methylthio)-9H-purin-8-yl)(phenyl)methanol. Following Lipinski's Rule of Five, (6-(Methylthio)-9H-purin-8-yl)(phenyl)methanol has 2 hydrogen bond donor(s) and 5 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-(Methylthio)-9H-purin-8-yl)(phenyl)methanol?
The CAS number of (6-(Methylthio)-9H-purin-8-yl)(phenyl)methanol is 4460-08-6.
What is the molecular formula of (6-(Methylthio)-9H-purin-8-yl)(phenyl)methanol?
The molecular formula of (6-(Methylthio)-9H-purin-8-yl)(phenyl)methanol is C13H12N4OS.
What is the molecular weight of (6-(Methylthio)-9H-purin-8-yl)(phenyl)methanol?
The molecular weight of (6-(Methylthio)-9H-purin-8-yl)(phenyl)methanol is 272.07 g/mol.
Where can I buy (6-(Methylthio)-9H-purin-8-yl)(phenyl)methanol?
You can request a quote for (6-(Methylthio)-9H-purin-8-yl)(phenyl)methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-(Methylthio)-9H-purin-8-yl)(phenyl)methanol?
Yes, KEHONG BIO provides custom synthesis services for (6-(Methylthio)-9H-purin-8-yl)(phenyl)methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.