1H-Inden-1-one, chloro-
TL;DR: 1H-Inden-1-one, chloro- (CAS 176597-89-0) is a chemical compound with molecular formula C9H5ClO and molecular weight 164.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroinden-1-one
Also Known As: 2-chloroinden-1-one, Chloro-1H-inden-1-one, 1H-Inden-1-one, chloro-, 2-Chloro-1H-inden-1-one, 1H-Inden-1-one, 2-chloro-
| Molecular Formula | C9H5ClO |
|---|---|
| Molecular Weight | 164.00 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.0029 |
| Heavy Atoms | 11 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 176597-89-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C2=O)Cl |
| InChIKey | ODYQVLAPGKKVFS-UHFFFAOYSA-N |
Product Overview
1H-Inden-1-one, chloro- (CAS 176597-89-0), with molecular formula C9H5ClO and molecular weight 164.00 g/mol. IUPAC: 2-chloroinden-1-one.
Chemical Property Profile of 1H-Inden-1-one, chloro-
Property Insights of 1H-Inden-1-one, chloro-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Inden-1-one, chloro-. With a topological polar surface area (TPSA) of 17.1 Ų, 1H-Inden-1-one, chloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Inden-1-one, chloro- 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, chloro-?
The CAS number of 1H-Inden-1-one, chloro- is 176597-89-0.
What is the molecular formula of 1H-Inden-1-one, chloro-?
The molecular formula of 1H-Inden-1-one, chloro- is C9H5ClO.
What is the molecular weight of 1H-Inden-1-one, chloro-?
The molecular weight of 1H-Inden-1-one, chloro- is 164.00 g/mol.
Where can I buy 1H-Inden-1-one, chloro-?
You can request a quote for 1H-Inden-1-one, chloro- 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, chloro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Inden-1-one, chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.