3,3,4-Trimethyl-3,4-dihydrocyclopenta(b)indol-1(2H)-one
TL;DR: 3,3,4-Trimethyl-3,4-dihydrocyclopenta(b)indol-1(2H)-one (CAS 29124-15-0) is a chemical compound with molecular formula C14H15NO and molecular weight 213.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,4-trimethyl-2H-cyclopenta[b]indol-1-one
Also Known As: 3,3,4-Trimethyl-3,4-dihydrocyclopenta(b)indol-1(2H)-one, 3,3,4-trimethyl-2H-cyclopenta[b]indol-1-one, 3,3,4-Trimethyl-2,3-dihydrocyclopenta[b]indol-1(4H)-one, 3,3,4-Trimethyl-3,4-dihydrocyclopenta[b]indol-1(2H)-one, CYCLOPENT(B)INDOL-1(2H)-ONE, 3,4-DIHYDRO-3,3,4-TRIMETHYL-
| Molecular Formula | C14H15NO |
|---|---|
| Molecular Weight | 213.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 213.11537 |
| Heavy Atoms | 16 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 29124-15-0 |
|---|---|
| SMILES | CC1(CC(=O)C2=C1N(C3=CC=CC=C32)C)C |
| InChIKey | RLDTWHRDESGVTI-UHFFFAOYSA-N |
Product Overview
3,3,4-Trimethyl-3,4-dihydrocyclopenta(b)indol-1(2H)-one (CAS 29124-15-0), with molecular formula C14H15NO and molecular weight 213.12 g/mol. IUPAC: 3,3,4-trimethyl-2H-cyclopenta[b]indol-1-one.
Chemical Property Profile of 3,3,4-Trimethyl-3,4-dihydrocyclopenta(b)indol-1(2H)-one
Property Insights of 3,3,4-Trimethyl-3,4-dihydrocyclopenta(b)indol-1(2H)-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3,4-Trimethyl-3,4-dihydrocyclopenta(b)indol-1(2H)-one. With a topological polar surface area (TPSA) of 22.0 Ų, 3,3,4-Trimethyl-3,4-dihydrocyclopenta(b)indol-1(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,4-Trimethyl-3,4-dihydrocyclopenta(b)indol-1(2H)-one 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 3,3,4-Trimethyl-3,4-dihydrocyclopenta(b)indol-1(2H)-one?
The CAS number of 3,3,4-Trimethyl-3,4-dihydrocyclopenta(b)indol-1(2H)-one is 29124-15-0.
What is the molecular formula of 3,3,4-Trimethyl-3,4-dihydrocyclopenta(b)indol-1(2H)-one?
The molecular formula of 3,3,4-Trimethyl-3,4-dihydrocyclopenta(b)indol-1(2H)-one is C14H15NO.
What is the molecular weight of 3,3,4-Trimethyl-3,4-dihydrocyclopenta(b)indol-1(2H)-one?
The molecular weight of 3,3,4-Trimethyl-3,4-dihydrocyclopenta(b)indol-1(2H)-one is 213.12 g/mol.
Where can I buy 3,3,4-Trimethyl-3,4-dihydrocyclopenta(b)indol-1(2H)-one?
You can request a quote for 3,3,4-Trimethyl-3,4-dihydrocyclopenta(b)indol-1(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,4-Trimethyl-3,4-dihydrocyclopenta(b)indol-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3,4-Trimethyl-3,4-dihydrocyclopenta(b)indol-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.