1H-Inden-1-one, 4-chloro-2,3-dihydro-7-methyl-
TL;DR: 1H-Inden-1-one, 4-chloro-2,3-dihydro-7-methyl- (CAS 5333-90-4) is a chemical compound with molecular formula C10H9ClO and molecular weight 180.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-7-methyl-2,3-dihydroinden-1-one
Also Known As: 4-Chloro-7-methyl-1-indanone, 4-chloro-7-methyl-2,3-dihydroinden-1-one, 4-Chloro-7-methyl-2,3-dihydro-1H-inden-1-one, 1H-Inden-1-one, 4-chloro-2,3-dihydro-7-methyl-, 1H-Inden-1-one,3-dihydro-7-methyl
| Molecular Formula | C10H9ClO |
|---|---|
| Molecular Weight | 180.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.0342 |
| Heavy Atoms | 12 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 5333-90-4 |
|---|---|
| SMILES | CC1=C2C(=C(C=C1)Cl)CCC2=O |
| InChIKey | GGWVYVCKNJCQOC-UHFFFAOYSA-N |
Product Overview
1H-Inden-1-one, 4-chloro-2,3-dihydro-7-methyl- (CAS 5333-90-4), with molecular formula C10H9ClO and molecular weight 180.03 g/mol. IUPAC: 4-chloro-7-methyl-2,3-dihydroinden-1-one.
Chemical Property Profile of 1H-Inden-1-one, 4-chloro-2,3-dihydro-7-methyl-
Property Insights of 1H-Inden-1-one, 4-chloro-2,3-dihydro-7-methyl-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Inden-1-one, 4-chloro-2,3-dihydro-7-methyl-. With a topological polar surface area (TPSA) of 17.1 Ų, 1H-Inden-1-one, 4-chloro-2,3-dihydro-7-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Inden-1-one, 4-chloro-2,3-dihydro-7-methyl- has 0 hydrogen bond donor(s) and 1 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 1H-Inden-1-one, 4-chloro-2,3-dihydro-7-methyl-?
The CAS number of 1H-Inden-1-one, 4-chloro-2,3-dihydro-7-methyl- is 5333-90-4.
What is the molecular formula of 1H-Inden-1-one, 4-chloro-2,3-dihydro-7-methyl-?
The molecular formula of 1H-Inden-1-one, 4-chloro-2,3-dihydro-7-methyl- is C10H9ClO.
What is the molecular weight of 1H-Inden-1-one, 4-chloro-2,3-dihydro-7-methyl-?
The molecular weight of 1H-Inden-1-one, 4-chloro-2,3-dihydro-7-methyl- is 180.03 g/mol.
Where can I buy 1H-Inden-1-one, 4-chloro-2,3-dihydro-7-methyl-?
You can request a quote for 1H-Inden-1-one, 4-chloro-2,3-dihydro-7-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Inden-1-one, 4-chloro-2,3-dihydro-7-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Inden-1-one, 4-chloro-2,3-dihydro-7-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.