4-chloro-2-methyl-5H,6H,7H-cyclopenta(d)pyrimidine
TL;DR: 4-chloro-2-methyl-5H,6H,7H-cyclopenta(d)pyrimidine (CAS 118802-40-7) is a chemical compound with molecular formula C8H9ClN2 and molecular weight 168.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
Also Known As: 4-chloro-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine, 7-METHYLINDOLE-3-ACETONITRILE, 4-chloro-2-methyl-5H,6H,7H-cyclopenta[d]pyrimidine, 4-Chloro-2-methyl-6,7-dihydro-5H-cyclopentapyrimidine, Y-7481
| Molecular Formula | C8H9ClN2 |
|---|---|
| Molecular Weight | 168.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 25.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.04543 |
| Heavy Atoms | 11 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 118802-40-7 |
|---|---|
| SMILES | CC1=NC2=C(CCC2)C(=N1)Cl |
| InChIKey | LAXXXFLVHDQNLA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-chloro-2-methyl-5H,6H,7H-cyclopenta(d)pyrimidine (CAS 118802-40-7), with molecular formula C8H9ClN2 and molecular weight 168.05 g/mol. IUPAC: 4-chloro-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
Chemical Property Profile of 4-chloro-2-methyl-5H,6H,7H-cyclopenta(d)pyrimidine
Property Insights of 4-chloro-2-methyl-5H,6H,7H-cyclopenta(d)pyrimidine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-2-methyl-5H,6H,7H-cyclopenta(d)pyrimidine. With a topological polar surface area (TPSA) of 25.8 Ų, 4-chloro-2-methyl-5H,6H,7H-cyclopenta(d)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-2-methyl-5H,6H,7H-cyclopenta(d)pyrimidine has 0 hydrogen bond donor(s) and 2 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 4-chloro-2-methyl-5H,6H,7H-cyclopenta(d)pyrimidine?
The CAS number of 4-chloro-2-methyl-5H,6H,7H-cyclopenta(d)pyrimidine is 118802-40-7.
What is the molecular formula of 4-chloro-2-methyl-5H,6H,7H-cyclopenta(d)pyrimidine?
The molecular formula of 4-chloro-2-methyl-5H,6H,7H-cyclopenta(d)pyrimidine is C8H9ClN2.
What is the molecular weight of 4-chloro-2-methyl-5H,6H,7H-cyclopenta(d)pyrimidine?
The molecular weight of 4-chloro-2-methyl-5H,6H,7H-cyclopenta(d)pyrimidine is 168.05 g/mol.
Where can I buy 4-chloro-2-methyl-5H,6H,7H-cyclopenta(d)pyrimidine?
You can request a quote for 4-chloro-2-methyl-5H,6H,7H-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 4-chloro-2-methyl-5H,6H,7H-cyclopenta(d)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-2-methyl-5H,6H,7H-cyclopenta(d)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.