7-Allyl-8-(2-chloro-benzylsulfanyl)-3-methyl-3,7-dihydro-purine-2,6-dione
TL;DR: 7-Allyl-8-(2-chloro-benzylsulfanyl)-3-methyl-3,7-dihydro-purine-2,6-dione (CAS 313380-54-0) is a chemical compound with molecular formula C16H15ClN4O2S and molecular weight 362.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(2-chlorophenyl)methylsulfanyl]-3-methyl-7-prop-2-enylpurine-2,6-dione
Also Known As: BAS 00620129, UPCMLD0ENAT5730420:001, 7-Allyl-8-(2-chloro-benzylsulfanyl)-3-methyl-3,7-dihydro-purine-2,6-dione, 8-[(2-chlorophenyl)methylsulfanyl]-3-methyl-7-prop-2-enylpurine-2,6-dione, 7-allyl-8-((2-chlorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C16H15ClN4O2S |
|---|---|
| Molecular Weight | 362.06 g/mol |
| LogP | 2.555 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.06042 |
| Heavy Atoms | 24 |
| Complexity | 1034.714 |
Chemical Identifiers
| CAS Number | 313380-54-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=CC=C3Cl)CC=C |
Product Overview
7-Allyl-8-(2-chloro-benzylsulfanyl)-3-methyl-3,7-dihydro-purine-2,6-dione (CAS 313380-54-0), with molecular formula C16H15ClN4O2S and molecular weight 362.06 g/mol. IUPAC: 8-[(2-chlorophenyl)methylsulfanyl]-3-methyl-7-prop-2-enylpurine-2,6-dione.
Chemical Property Profile of 7-Allyl-8-(2-chloro-benzylsulfanyl)-3-methyl-3,7-dihydro-purine-2,6-dione
Property Insights of 7-Allyl-8-(2-chloro-benzylsulfanyl)-3-methyl-3,7-dihydro-purine-2,6-dione
The XLogP value of 2.555 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Allyl-8-(2-chloro-benzylsulfanyl)-3-methyl-3,7-dihydro-purine-2,6-dione. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Allyl-8-(2-chloro-benzylsulfanyl)-3-methyl-3,7-dihydro-purine-2,6-dione. Following Lipinski's Rule of Five, 7-Allyl-8-(2-chloro-benzylsulfanyl)-3-methyl-3,7-dihydro-purine-2,6-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 7-Allyl-8-(2-chloro-benzylsulfanyl)-3-methyl-3,7-dihydro-purine-2,6-dione?
The CAS number of 7-Allyl-8-(2-chloro-benzylsulfanyl)-3-methyl-3,7-dihydro-purine-2,6-dione is 313380-54-0.
What is the molecular formula of 7-Allyl-8-(2-chloro-benzylsulfanyl)-3-methyl-3,7-dihydro-purine-2,6-dione?
The molecular formula of 7-Allyl-8-(2-chloro-benzylsulfanyl)-3-methyl-3,7-dihydro-purine-2,6-dione is C16H15ClN4O2S.
What is the molecular weight of 7-Allyl-8-(2-chloro-benzylsulfanyl)-3-methyl-3,7-dihydro-purine-2,6-dione?
The molecular weight of 7-Allyl-8-(2-chloro-benzylsulfanyl)-3-methyl-3,7-dihydro-purine-2,6-dione is 362.06 g/mol.
Where can I buy 7-Allyl-8-(2-chloro-benzylsulfanyl)-3-methyl-3,7-dihydro-purine-2,6-dione?
You can request a quote for 7-Allyl-8-(2-chloro-benzylsulfanyl)-3-methyl-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 7-Allyl-8-(2-chloro-benzylsulfanyl)-3-methyl-3,7-dihydro-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-Allyl-8-(2-chloro-benzylsulfanyl)-3-methyl-3,7-dihydro-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.