2-((2-Chlorobenzyl)sulfanyl)-4-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidine
TL;DR: 2-((2-Chlorobenzyl)sulfanyl)-4-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidine (CAS 477852-03-2) is a chemical compound with molecular formula C15H15ClN2S and molecular weight 290.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)methylsulfanyl]-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
Also Known As: 11D-090, 2-((2-Chlorobenzyl)sulfanyl)-4-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidine, 2-{[(2-chlorophenyl)methyl]sulfanyl}-4-methyl-5H,6H,7H-cyclopenta[d]pyrimidine, 2-[(2-chlorophenyl)methylsulfanyl]-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine, 2-chlorobenzyl 4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl sulfide
| Molecular Formula | C15H15ClN2S |
|---|---|
| Molecular Weight | 290.06 g/mol |
| LogP | 4.21942 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.06445 |
| Heavy Atoms | 19 |
| Complexity | 613.0897 |
Chemical Identifiers
| CAS Number | 477852-03-2 |
|---|---|
| SMILES | CC1=C2CCCC2=NC(=N1)SCC3=CC=CC=C3Cl |
Product Overview
2-((2-Chlorobenzyl)sulfanyl)-4-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidine (CAS 477852-03-2), with molecular formula C15H15ClN2S and molecular weight 290.06 g/mol. IUPAC: 2-[(2-chlorophenyl)methylsulfanyl]-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
Chemical Property Profile of 2-((2-Chlorobenzyl)sulfanyl)-4-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidine
Property Insights of 2-((2-Chlorobenzyl)sulfanyl)-4-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidine
The XLogP value of 4.21942 indicates that 2-((2-Chlorobenzyl)sulfanyl)-4-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, 2-((2-Chlorobenzyl)sulfanyl)-4-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2-Chlorobenzyl)sulfanyl)-4-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidine 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 2-((2-Chlorobenzyl)sulfanyl)-4-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidine?
The CAS number of 2-((2-Chlorobenzyl)sulfanyl)-4-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidine is 477852-03-2.
What is the molecular formula of 2-((2-Chlorobenzyl)sulfanyl)-4-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidine?
The molecular formula of 2-((2-Chlorobenzyl)sulfanyl)-4-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidine is C15H15ClN2S.
What is the molecular weight of 2-((2-Chlorobenzyl)sulfanyl)-4-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidine?
The molecular weight of 2-((2-Chlorobenzyl)sulfanyl)-4-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidine is 290.06 g/mol.
Where can I buy 2-((2-Chlorobenzyl)sulfanyl)-4-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidine?
You can request a quote for 2-((2-Chlorobenzyl)sulfanyl)-4-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-Chlorobenzyl)sulfanyl)-4-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-Chlorobenzyl)sulfanyl)-4-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.