![2-[(E)-3-chlorobut-2-enyl]-4-methyl-7,8-dihydropurino[8,7-b][1,3]thiazole-1,3-dione structure](/static/products/116/1164547-79-8.png)
2-[(E)-3-chlorobut-2-enyl]-4-methyl-7,8-dihydropurino[8,7-b][1,3]thiazole-1,3-dione
TL;DR: 2-[(E)-3-chlorobut-2-enyl]-4-methyl-7,8-dihydropurino[8,7-b][1,3]thiazole-1,3-dione (CAS 1164547-79-8) is a chemical compound with molecular formula C12H13ClN4O2S and molecular weight 312.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-3-chlorobut-2-enyl]-4-methyl-7,8-dihydropurino[8,7-b][1,3]thiazole-1,3-dione
Also Known As: 2-[(E)-3-chlorobut-2-enyl]-4-methyl-7,8-dihydropurino[8,7-b][1,3]thiazole-1,3-dione, (E)-3-(3-chlorobut-2-en-1-yl)-1-methyl-6,7-dihydrothiazolo[2,3-f]purine-2,4(1H,3H)-dione, 3-[(2E)-3-chlorobut-2-en-1-yl]-1-methyl-6,7-dihydro[1,3]thiazolo[2,3-f]purine-2,4(1H,3H)-dione
| Molecular Formula | C12H13ClN4O2S |
|---|---|
| Molecular Weight | 312.04 g/mol |
| LogP | 1.145 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.04477 |
| Heavy Atoms | 20 |
| Complexity | 841.7301 |
Chemical Identifiers
| CAS Number | 1164547-79-8 |
|---|---|
| SMILES | C/C(=C\CN1C(=O)C2=C(N=C3N2CCS3)N(C1=O)C)/Cl |
Product Overview
2-[(E)-3-chlorobut-2-enyl]-4-methyl-7,8-dihydropurino[8,7-b][1,3]thiazole-1,3-dione (CAS 1164547-79-8), with molecular formula C12H13ClN4O2S and molecular weight 312.04 g/mol. IUPAC: 2-[(E)-3-chlorobut-2-enyl]-4-methyl-7,8-dihydropurino[8,7-b][1,3]thiazole-1,3-dione.
Chemical Property Profile of 2-[(E)-3-chlorobut-2-enyl]-4-methyl-7,8-dihydropurino[8,7-b][1,3]thiazole-1,3-dione
Property Insights of 2-[(E)-3-chlorobut-2-enyl]-4-methyl-7,8-dihydropurino[8,7-b][1,3]thiazole-1,3-dione
The XLogP value of 1.145 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(E)-3-chlorobut-2-enyl]-4-methyl-7,8-dihydropurino[8,7-b][1,3]thiazole-1,3-dione. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(E)-3-chlorobut-2-enyl]-4-methyl-7,8-dihydropurino[8,7-b][1,3]thiazole-1,3-dione. Following Lipinski's Rule of Five, 2-[(E)-3-chlorobut-2-enyl]-4-methyl-7,8-dihydropurino[8,7-b][1,3]thiazole-1,3-dione has 0 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 2-[(E)-3-chlorobut-2-enyl]-4-methyl-7,8-dihydropurino[8,7-b][1,3]thiazole-1,3-dione?
The CAS number of 2-[(E)-3-chlorobut-2-enyl]-4-methyl-7,8-dihydropurino[8,7-b][1,3]thiazole-1,3-dione is 1164547-79-8.
What is the molecular formula of 2-[(E)-3-chlorobut-2-enyl]-4-methyl-7,8-dihydropurino[8,7-b][1,3]thiazole-1,3-dione?
The molecular formula of 2-[(E)-3-chlorobut-2-enyl]-4-methyl-7,8-dihydropurino[8,7-b][1,3]thiazole-1,3-dione is C12H13ClN4O2S.
What is the molecular weight of 2-[(E)-3-chlorobut-2-enyl]-4-methyl-7,8-dihydropurino[8,7-b][1,3]thiazole-1,3-dione?
The molecular weight of 2-[(E)-3-chlorobut-2-enyl]-4-methyl-7,8-dihydropurino[8,7-b][1,3]thiazole-1,3-dione is 312.04 g/mol.
Where can I buy 2-[(E)-3-chlorobut-2-enyl]-4-methyl-7,8-dihydropurino[8,7-b][1,3]thiazole-1,3-dione?
You can request a quote for 2-[(E)-3-chlorobut-2-enyl]-4-methyl-7,8-dihydropurino[8,7-b][1,3]thiazole-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(E)-3-chlorobut-2-enyl]-4-methyl-7,8-dihydropurino[8,7-b][1,3]thiazole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[(E)-3-chlorobut-2-enyl]-4-methyl-7,8-dihydropurino[8,7-b][1,3]thiazole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.