![7-benzyl-8-[(3-chloro-2-hydroxypropyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione structure](/static/products/374/374087-28-2.png)
7-benzyl-8-[(3-chloro-2-hydroxypropyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-benzyl-8-[(3-chloro-2-hydroxypropyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 374087-28-2) is a chemical compound with molecular formula C17H19ClN4O3S and molecular weight 394.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzyl-8-(3-chloro-2-hydroxypropyl)sulfanyl-1,3-dimethylpurine-2,6-dione
Also Known As: 7-benzyl-8-[(3-chloro-2-hydroxypropyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-benzyl-8-((3-chloro-2-hydroxypropyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-benzyl-8-(3-chloro-2-hydroxypropyl)sulfanyl-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C17H19ClN4O3S |
|---|---|
| Molecular Weight | 394.09 g/mol |
| LogP | 1.1738 |
| Topological Polar Surface Area | 82.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.08664 |
| Heavy Atoms | 26 |
| Complexity | 1042.0731 |
Chemical Identifiers
| CAS Number | 374087-28-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(CCl)O)CC3=CC=CC=C3 |
Product Overview
7-benzyl-8-[(3-chloro-2-hydroxypropyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 374087-28-2), with molecular formula C17H19ClN4O3S and molecular weight 394.09 g/mol. IUPAC: 7-benzyl-8-(3-chloro-2-hydroxypropyl)sulfanyl-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-benzyl-8-[(3-chloro-2-hydroxypropyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-benzyl-8-[(3-chloro-2-hydroxypropyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.1738 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-benzyl-8-[(3-chloro-2-hydroxypropyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 82.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-benzyl-8-[(3-chloro-2-hydroxypropyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-benzyl-8-[(3-chloro-2-hydroxypropyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione has 1 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 7-benzyl-8-[(3-chloro-2-hydroxypropyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-benzyl-8-[(3-chloro-2-hydroxypropyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 374087-28-2.
What is the molecular formula of 7-benzyl-8-[(3-chloro-2-hydroxypropyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-benzyl-8-[(3-chloro-2-hydroxypropyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is C17H19ClN4O3S.
What is the molecular weight of 7-benzyl-8-[(3-chloro-2-hydroxypropyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-benzyl-8-[(3-chloro-2-hydroxypropyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 394.09 g/mol.
Where can I buy 7-benzyl-8-[(3-chloro-2-hydroxypropyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-benzyl-8-[(3-chloro-2-hydroxypropyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-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 7-benzyl-8-[(3-chloro-2-hydroxypropyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-benzyl-8-[(3-chloro-2-hydroxypropyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.