![{[2-amino-9-(2-methylpropyl)-9H-purin-6-yl]sulfanyl}acetic acid structure](/static/products/913/91338-68-0.png)
{[2-amino-9-(2-methylpropyl)-9H-purin-6-yl]sulfanyl}acetic acid
TL;DR: {[2-amino-9-(2-methylpropyl)-9H-purin-6-yl]sulfanyl}acetic acid (CAS 91338-68-0) is a chemical compound with molecular formula C11H15N5O2S and molecular weight 281.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-amino-9-(2-methylpropyl)purin-6-yl]sulfanylacetic acid
Also Known As: 2-[2-amino-9-(2-methylpropyl)purin-6-yl]sulfanylacetic acid, {[2-amino-9-(2-methylpropyl)-9H-purin-6-yl]sulfanyl}acetic acid, 2-((2-Amino-9-isobutyl-9H-purin-6-yl)thio)acetic acid, 2-((2-Amino-9-isobutyl-9H-purin-6-yl)thio)aceticacid
| Molecular Formula | C11H15N5O2S |
|---|---|
| Molecular Weight | 281.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 281.09464 |
| Heavy Atoms | 19 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 91338-68-0 |
|---|---|
| SMILES | CC(C)CN1C=NC2=C1N=C(N=C2SCC(=O)O)N |
| InChIKey | CMFBTERDHNLIRZ-UHFFFAOYSA-N |
Product Overview
{[2-amino-9-(2-methylpropyl)-9H-purin-6-yl]sulfanyl}acetic acid (CAS 91338-68-0), with molecular formula C11H15N5O2S and molecular weight 281.09 g/mol. IUPAC: 2-[2-amino-9-(2-methylpropyl)purin-6-yl]sulfanylacetic acid.
Chemical Property Profile of {[2-amino-9-(2-methylpropyl)-9H-purin-6-yl]sulfanyl}acetic acid
Property Insights of {[2-amino-9-(2-methylpropyl)-9H-purin-6-yl]sulfanyl}acetic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {[2-amino-9-(2-methylpropyl)-9H-purin-6-yl]sulfanyl}acetic acid. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for {[2-amino-9-(2-methylpropyl)-9H-purin-6-yl]sulfanyl}acetic acid. Following Lipinski's Rule of Five, {[2-amino-9-(2-methylpropyl)-9H-purin-6-yl]sulfanyl}acetic acid 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-amino-9-(2-methylpropyl)-9H-purin-6-yl]sulfanyl}acetic acid?
The CAS number of {[2-amino-9-(2-methylpropyl)-9H-purin-6-yl]sulfanyl}acetic acid is 91338-68-0.
What is the molecular formula of {[2-amino-9-(2-methylpropyl)-9H-purin-6-yl]sulfanyl}acetic acid?
The molecular formula of {[2-amino-9-(2-methylpropyl)-9H-purin-6-yl]sulfanyl}acetic acid is C11H15N5O2S.
What is the molecular weight of {[2-amino-9-(2-methylpropyl)-9H-purin-6-yl]sulfanyl}acetic acid?
The molecular weight of {[2-amino-9-(2-methylpropyl)-9H-purin-6-yl]sulfanyl}acetic acid is 281.09 g/mol.
Where can I buy {[2-amino-9-(2-methylpropyl)-9H-purin-6-yl]sulfanyl}acetic acid?
You can request a quote for {[2-amino-9-(2-methylpropyl)-9H-purin-6-yl]sulfanyl}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {[2-amino-9-(2-methylpropyl)-9H-purin-6-yl]sulfanyl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {[2-amino-9-(2-methylpropyl)-9H-purin-6-yl]sulfanyl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.