(E)-7-allyl-8-((3-chlorobut-2-en-1-yl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: (E)-7-allyl-8-((3-chlorobut-2-en-1-yl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 313552-34-0) is a chemical compound with molecular formula C13H15ClN4O2S and molecular weight 326.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(E)-3-chlorobut-2-enyl]sulfanyl-3-methyl-7-prop-2-enylpurine-2,6-dione
Also Known As: (E)-7-allyl-8-((3-chlorobut-2-en-1-yl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-[(E)-3-chlorobut-2-enyl]sulfanyl-3-methyl-7-prop-2-enylpurine-2,6-dione, 8-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C13H15ClN4O2S |
|---|---|
| Molecular Weight | 326.06 g/mol |
| LogP | 1.844 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.06042 |
| Heavy Atoms | 21 |
| Complexity | 827.0344 |
Chemical Identifiers
| CAS Number | 313552-34-0 |
|---|---|
| SMILES | C/C(=C\CSC1=NC2=C(N1CC=C)C(=O)NC(=O)N2C)/Cl |
Product Overview
(E)-7-allyl-8-((3-chlorobut-2-en-1-yl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 313552-34-0), with molecular formula C13H15ClN4O2S and molecular weight 326.06 g/mol. IUPAC: 8-[(E)-3-chlorobut-2-enyl]sulfanyl-3-methyl-7-prop-2-enylpurine-2,6-dione.
Chemical Property Profile of (E)-7-allyl-8-((3-chlorobut-2-en-1-yl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of (E)-7-allyl-8-((3-chlorobut-2-en-1-yl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.844 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-7-allyl-8-((3-chlorobut-2-en-1-yl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-7-allyl-8-((3-chlorobut-2-en-1-yl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, (E)-7-allyl-8-((3-chlorobut-2-en-1-yl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione has 1 hydrogen bond donor(s) and 4 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 (E)-7-allyl-8-((3-chlorobut-2-en-1-yl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of (E)-7-allyl-8-((3-chlorobut-2-en-1-yl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione is 313552-34-0.
What is the molecular formula of (E)-7-allyl-8-((3-chlorobut-2-en-1-yl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of (E)-7-allyl-8-((3-chlorobut-2-en-1-yl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione is C13H15ClN4O2S.
What is the molecular weight of (E)-7-allyl-8-((3-chlorobut-2-en-1-yl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of (E)-7-allyl-8-((3-chlorobut-2-en-1-yl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione is 326.06 g/mol.
Where can I buy (E)-7-allyl-8-((3-chlorobut-2-en-1-yl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for (E)-7-allyl-8-((3-chlorobut-2-en-1-yl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-7-allyl-8-((3-chlorobut-2-en-1-yl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-7-allyl-8-((3-chlorobut-2-en-1-yl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.