ChemDiv1_000681
TL;DR: ChemDiv1_000681 (CAS 313530-88-0) is a chemical compound with molecular formula C13H19N5O3S and molecular weight 325.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-methyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]sulfanylacetamide
Also Known As: ChemDiv1_000681, BAS 00288333, AB00094207-01, AB00094207-03, 2-((7-isopentyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide
| Molecular Formula | C13H19N5O3S |
|---|---|
| Molecular Weight | 325.12 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 325.12085 |
| Heavy Atoms | 22 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 313530-88-0 |
|---|---|
| SMILES | CC(C)CCN1C2=C(N=C1SCC(=O)N)N(C(=O)NC2=O)C |
| InChIKey | VIMPSMIMLGBVAF-UHFFFAOYSA-N |
Product Overview
ChemDiv1_000681 (CAS 313530-88-0), with molecular formula C13H19N5O3S and molecular weight 325.12 g/mol. IUPAC: 2-[3-methyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]sulfanylacetamide.
Chemical Property Profile of ChemDiv1_000681
Property Insights of ChemDiv1_000681
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_000681. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_000681. Following Lipinski's Rule of Five, ChemDiv1_000681 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 ChemDiv1_000681?
The CAS number of ChemDiv1_000681 is 313530-88-0.
What is the molecular formula of ChemDiv1_000681?
The molecular formula of ChemDiv1_000681 is C13H19N5O3S.
What is the molecular weight of ChemDiv1_000681?
The molecular weight of ChemDiv1_000681 is 325.12 g/mol.
Where can I buy ChemDiv1_000681?
You can request a quote for ChemDiv1_000681 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000681?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000681 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.