Cyclohepta(c)pyrrol-6(2H)-one, 1,3-dimethyl-
TL;DR: Cyclohepta(c)pyrrol-6(2H)-one, 1,3-dimethyl- (CAS 57015-27-7) is a chemical compound with molecular formula C11H11NO and molecular weight 173.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-2H-cyclohepta[c]pyrrol-6-one
Also Known As: 1,3-Dimethyl-2-azaazulene-6-one, 1,3-dimethyl-2H-cyclohepta[c]pyrrol-6-one, 1,3-Dimethylcyclohepta[c]pyrrol-6(2H)-one, Cyclohepta(c)pyrrol-6(2H)-one, 1,3-dimethyl-, Cyclohepta[c]pyrrol-6(2H)-one,1,3-dimethyl-
| Molecular Formula | C11H11NO |
|---|---|
| Molecular Weight | 173.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 32.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.08406 |
| Heavy Atoms | 13 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 57015-27-7 |
|---|---|
| SMILES | CC1=C2C=CC(=O)C=CC2=C(N1)C |
| InChIKey | INRROICIHSZSAW-UHFFFAOYSA-N |
Product Overview
Cyclohepta(c)pyrrol-6(2H)-one, 1,3-dimethyl- (CAS 57015-27-7), with molecular formula C11H11NO and molecular weight 173.08 g/mol. IUPAC: 1,3-dimethyl-2H-cyclohepta[c]pyrrol-6-one.
Chemical Property Profile of Cyclohepta(c)pyrrol-6(2H)-one, 1,3-dimethyl-
Property Insights of Cyclohepta(c)pyrrol-6(2H)-one, 1,3-dimethyl-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohepta(c)pyrrol-6(2H)-one, 1,3-dimethyl-. With a topological polar surface area (TPSA) of 32.9 Ų, Cyclohepta(c)pyrrol-6(2H)-one, 1,3-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohepta(c)pyrrol-6(2H)-one, 1,3-dimethyl- has 1 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 Cyclohepta(c)pyrrol-6(2H)-one, 1,3-dimethyl-?
The CAS number of Cyclohepta(c)pyrrol-6(2H)-one, 1,3-dimethyl- is 57015-27-7.
What is the molecular formula of Cyclohepta(c)pyrrol-6(2H)-one, 1,3-dimethyl-?
The molecular formula of Cyclohepta(c)pyrrol-6(2H)-one, 1,3-dimethyl- is C11H11NO.
What is the molecular weight of Cyclohepta(c)pyrrol-6(2H)-one, 1,3-dimethyl-?
The molecular weight of Cyclohepta(c)pyrrol-6(2H)-one, 1,3-dimethyl- is 173.08 g/mol.
Where can I buy Cyclohepta(c)pyrrol-6(2H)-one, 1,3-dimethyl-?
You can request a quote for Cyclohepta(c)pyrrol-6(2H)-one, 1,3-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohepta(c)pyrrol-6(2H)-one, 1,3-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Cyclohepta(c)pyrrol-6(2H)-one, 1,3-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.