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1-Azaspiro[5.5]undec-7-en-9-one, 1-(phenylmethyl)-
TL;DR: 1-Azaspiro[5.5]undec-7-en-9-one, 1-(phenylmethyl)- (CAS 77204-60-5) is a chemical compound with molecular formula C17H21NO and molecular weight 255.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-1-azaspiro[5.5]undec-10-en-9-one
Also Known As: 1-benzyl-1-azaspiro[5.5]undec-7-en-9-one, 1-benzyl-1-azaspiro[5.5]undec-10-en-9-one, 1-Azaspiro[5.5]undec-7-en-9-one, 1-(phenylmethyl)-, 5-benzyl-5-azaspiro[5.5]undec-10-en-9-one
| Molecular Formula | C17H21NO |
|---|---|
| Molecular Weight | 255.16 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.16231 |
| Heavy Atoms | 19 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 77204-60-5 |
|---|---|
| SMILES | C1CCN(C2(C1)CCC(=O)C=C2)CC3=CC=CC=C3 |
| InChIKey | IYEVHQCVTNSKAH-UHFFFAOYSA-N |
Product Overview
1-Azaspiro[5.5]undec-7-en-9-one, 1-(phenylmethyl)- (CAS 77204-60-5), with molecular formula C17H21NO and molecular weight 255.16 g/mol. IUPAC: 1-benzyl-1-azaspiro[5.5]undec-10-en-9-one.
Chemical Property Profile of 1-Azaspiro[5.5]undec-7-en-9-one, 1-(phenylmethyl)-
Property Insights of 1-Azaspiro[5.5]undec-7-en-9-one, 1-(phenylmethyl)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Azaspiro[5.5]undec-7-en-9-one, 1-(phenylmethyl)-. With a topological polar surface area (TPSA) of 20.3 Ų, 1-Azaspiro[5.5]undec-7-en-9-one, 1-(phenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Azaspiro[5.5]undec-7-en-9-one, 1-(phenylmethyl)- 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 1-Azaspiro[5.5]undec-7-en-9-one, 1-(phenylmethyl)-?
The CAS number of 1-Azaspiro[5.5]undec-7-en-9-one, 1-(phenylmethyl)- is 77204-60-5.
What is the molecular formula of 1-Azaspiro[5.5]undec-7-en-9-one, 1-(phenylmethyl)-?
The molecular formula of 1-Azaspiro[5.5]undec-7-en-9-one, 1-(phenylmethyl)- is C17H21NO.
What is the molecular weight of 1-Azaspiro[5.5]undec-7-en-9-one, 1-(phenylmethyl)-?
The molecular weight of 1-Azaspiro[5.5]undec-7-en-9-one, 1-(phenylmethyl)- is 255.16 g/mol.
Where can I buy 1-Azaspiro[5.5]undec-7-en-9-one, 1-(phenylmethyl)-?
You can request a quote for 1-Azaspiro[5.5]undec-7-en-9-one, 1-(phenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Azaspiro[5.5]undec-7-en-9-one, 1-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Azaspiro[5.5]undec-7-en-9-one, 1-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.