3H-Benz(e)inden-3-one, 2-amino-1,2-dihydro-7-methyl-, hydrochloride
TL;DR: 3H-Benz(e)inden-3-one, 2-amino-1,2-dihydro-7-methyl-, hydrochloride (CAS 71459-01-3) is a chemical compound with molecular formula C14H14ClNO and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-7-methyl-1,2-dihydrocyclopenta[a]naphthalen-3-one;hydrochloride
Also Known As: 3H-Benz(e)inden-3-one, 2-amino-1,2-dihydro-7-methyl-, hydrochloride, 2-amino-7-methyl-1,2-dihydrocyclopenta[a]naphthalen-3-one hydrochloride, 2-Amino-7-methyl-1,2-dihydro-3H-cyclopenta[a]naphthalen-3-one--hydrogen chloride (1/1)
| Molecular Formula | C14H14ClNO |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 2.63612 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 247.07639 |
| Heavy Atoms | 17 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 71459-01-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C3=C(C=C2)C(=O)C(C3)N.Cl |
| InChIKey | GCKRAEURMLIUIQ-UHFFFAOYSA-N |
Product Overview
3H-Benz(e)inden-3-one, 2-amino-1,2-dihydro-7-methyl-, hydrochloride (CAS 71459-01-3), with molecular formula C14H14ClNO and molecular weight 247.08 g/mol. IUPAC: 2-amino-7-methyl-1,2-dihydrocyclopenta[a]naphthalen-3-one;hydrochloride.
Chemical Property Profile of 3H-Benz(e)inden-3-one, 2-amino-1,2-dihydro-7-methyl-, hydrochloride
Property Insights of 3H-Benz(e)inden-3-one, 2-amino-1,2-dihydro-7-methyl-, hydrochloride
The XLogP value of 2.63612 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-Benz(e)inden-3-one, 2-amino-1,2-dihydro-7-methyl-, hydrochloride. With a topological polar surface area (TPSA) of 43.1 Ų, 3H-Benz(e)inden-3-one, 2-amino-1,2-dihydro-7-methyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-Benz(e)inden-3-one, 2-amino-1,2-dihydro-7-methyl-, hydrochloride has 2 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 3H-Benz(e)inden-3-one, 2-amino-1,2-dihydro-7-methyl-, hydrochloride?
The CAS number of 3H-Benz(e)inden-3-one, 2-amino-1,2-dihydro-7-methyl-, hydrochloride is 71459-01-3.
What is the molecular formula of 3H-Benz(e)inden-3-one, 2-amino-1,2-dihydro-7-methyl-, hydrochloride?
The molecular formula of 3H-Benz(e)inden-3-one, 2-amino-1,2-dihydro-7-methyl-, hydrochloride is C14H14ClNO.
What is the molecular weight of 3H-Benz(e)inden-3-one, 2-amino-1,2-dihydro-7-methyl-, hydrochloride?
The molecular weight of 3H-Benz(e)inden-3-one, 2-amino-1,2-dihydro-7-methyl-, hydrochloride is 247.08 g/mol.
Where can I buy 3H-Benz(e)inden-3-one, 2-amino-1,2-dihydro-7-methyl-, hydrochloride?
You can request a quote for 3H-Benz(e)inden-3-one, 2-amino-1,2-dihydro-7-methyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-Benz(e)inden-3-one, 2-amino-1,2-dihydro-7-methyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3H-Benz(e)inden-3-one, 2-amino-1,2-dihydro-7-methyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.