8-Chloro-1,3-dimethyl-7-propyl-3,7-dihydro-purine-2,6-dione
TL;DR: 8-Chloro-1,3-dimethyl-7-propyl-3,7-dihydro-purine-2,6-dione (CAS 954-12-1) is a chemical compound with molecular formula C10H13ClN4O2 and molecular weight 256.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-1,3-dimethyl-7-propylpurine-2,6-dione
Also Known As: 8-chloro-1,3-dimethyl-7-propylpurine-2,6-dione, AB01283624-01, 8-chloro-1,3-dimethyl-7-propyl-3,7-dihydro-purine-2,6-dione, 8-chloro-1,3-dimethyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione, 8-chloro-1,3-dimethyl-7-propyl-1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C10H13ClN4O2 |
|---|---|
| Molecular Weight | 256.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.0727 |
| Heavy Atoms | 17 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 954-12-1 |
|---|---|
| SMILES | CCCN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C |
| InChIKey | IISVEVGHLRHTOU-UHFFFAOYSA-N |
Product Overview
8-Chloro-1,3-dimethyl-7-propyl-3,7-dihydro-purine-2,6-dione (CAS 954-12-1), with molecular formula C10H13ClN4O2 and molecular weight 256.07 g/mol. IUPAC: 8-chloro-1,3-dimethyl-7-propylpurine-2,6-dione.
Chemical Property Profile of 8-Chloro-1,3-dimethyl-7-propyl-3,7-dihydro-purine-2,6-dione
Property Insights of 8-Chloro-1,3-dimethyl-7-propyl-3,7-dihydro-purine-2,6-dione
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Chloro-1,3-dimethyl-7-propyl-3,7-dihydro-purine-2,6-dione. With a topological polar surface area (TPSA) of 58.4 Ų, 8-Chloro-1,3-dimethyl-7-propyl-3,7-dihydro-purine-2,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Chloro-1,3-dimethyl-7-propyl-3,7-dihydro-purine-2,6-dione has 0 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 8-Chloro-1,3-dimethyl-7-propyl-3,7-dihydro-purine-2,6-dione?
The CAS number of 8-Chloro-1,3-dimethyl-7-propyl-3,7-dihydro-purine-2,6-dione is 954-12-1.
What is the molecular formula of 8-Chloro-1,3-dimethyl-7-propyl-3,7-dihydro-purine-2,6-dione?
The molecular formula of 8-Chloro-1,3-dimethyl-7-propyl-3,7-dihydro-purine-2,6-dione is C10H13ClN4O2.
What is the molecular weight of 8-Chloro-1,3-dimethyl-7-propyl-3,7-dihydro-purine-2,6-dione?
The molecular weight of 8-Chloro-1,3-dimethyl-7-propyl-3,7-dihydro-purine-2,6-dione is 256.07 g/mol.
Where can I buy 8-Chloro-1,3-dimethyl-7-propyl-3,7-dihydro-purine-2,6-dione?
You can request a quote for 8-Chloro-1,3-dimethyl-7-propyl-3,7-dihydro-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Chloro-1,3-dimethyl-7-propyl-3,7-dihydro-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-Chloro-1,3-dimethyl-7-propyl-3,7-dihydro-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.