(E)-7-(3-chlorobut-2-en-1-yl)-8-mercapto-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: (E)-7-(3-chlorobut-2-en-1-yl)-8-mercapto-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 478253-14-4) is a chemical compound with molecular formula C11H13ClN4O2S and molecular weight 300.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(E)-3-chlorobut-2-enyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione
Also Known As: (E)-7-(3-chlorobut-2-en-1-yl)-8-mercapto-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-[(2E)-3-chloro-2-butenyl]-1,3-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione, 7-[(2E)-3-chlorobut-2-en-1-yl]-1,3-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione, 7-[(E)-3-chlorobut-2-enyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione
| Molecular Formula | C11H13ClN4O2S |
|---|---|
| Molecular Weight | 300.04 g/mol |
| LogP | 1.23889 |
| Topological Polar Surface Area | 64.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.04477 |
| Heavy Atoms | 19 |
| Complexity | 848.41815 |
Chemical Identifiers
| CAS Number | 478253-14-4 |
|---|---|
| SMILES | C/C(=C\CN1C2=C(NC1=S)N(C(=O)N(C2=O)C)C)/Cl |
Product Overview
(E)-7-(3-chlorobut-2-en-1-yl)-8-mercapto-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 478253-14-4), with molecular formula C11H13ClN4O2S and molecular weight 300.04 g/mol. IUPAC: 7-[(E)-3-chlorobut-2-enyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione.
Chemical Property Profile of (E)-7-(3-chlorobut-2-en-1-yl)-8-mercapto-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of (E)-7-(3-chlorobut-2-en-1-yl)-8-mercapto-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.23889 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-7-(3-chlorobut-2-en-1-yl)-8-mercapto-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 64.72 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-7-(3-chlorobut-2-en-1-yl)-8-mercapto-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, (E)-7-(3-chlorobut-2-en-1-yl)-8-mercapto-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione has 1 hydrogen bond donor(s) and 3 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-(3-chlorobut-2-en-1-yl)-8-mercapto-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of (E)-7-(3-chlorobut-2-en-1-yl)-8-mercapto-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 478253-14-4.
What is the molecular formula of (E)-7-(3-chlorobut-2-en-1-yl)-8-mercapto-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of (E)-7-(3-chlorobut-2-en-1-yl)-8-mercapto-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is C11H13ClN4O2S.
What is the molecular weight of (E)-7-(3-chlorobut-2-en-1-yl)-8-mercapto-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of (E)-7-(3-chlorobut-2-en-1-yl)-8-mercapto-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 300.04 g/mol.
Where can I buy (E)-7-(3-chlorobut-2-en-1-yl)-8-mercapto-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for (E)-7-(3-chlorobut-2-en-1-yl)-8-mercapto-1,3-dimethyl-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-(3-chlorobut-2-en-1-yl)-8-mercapto-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-7-(3-chlorobut-2-en-1-yl)-8-mercapto-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.