![1,2,3,4-Tetrahydrocyclohepta[b]indolium-6-olate structure](/static/products/554/55438-20-5.png)
1,2,3,4-Tetrahydrocyclohepta[b]indolium-6-olate
TL;DR: 1,2,3,4-Tetrahydrocyclohepta[b]indolium-6-olate (CAS 55438-20-5) is a chemical compound with molecular formula C13H13NO and molecular weight 199.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5-tetrahydro-1H-cyclohepta[b]indol-6-one
Also Known As: BAS 03269112, 1H,2H,3H,4H,5H,6H-cyclohepta[b]indol-6-one, 1,2,3,4-tetrahydrocyclohepta[b]indol-6(5H)-one, 2,3,4,5-Tetrahydro-1H-cyclohepta[b]indol-6-one, J1.717.663C
| Molecular Formula | C13H13NO |
|---|---|
| Molecular Weight | 199.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 32.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 199.09972 |
| Heavy Atoms | 15 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 55438-20-5 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(N2)C(=O)C=CC=C3 |
| InChIKey | ABNKWMOZTVYNDG-UHFFFAOYSA-N |
Product Overview
1,2,3,4-Tetrahydrocyclohepta[b]indolium-6-olate (CAS 55438-20-5), with molecular formula C13H13NO and molecular weight 199.10 g/mol. IUPAC: 2,3,4,5-tetrahydro-1H-cyclohepta[b]indol-6-one.
Chemical Property Profile of 1,2,3,4-Tetrahydrocyclohepta[b]indolium-6-olate
Property Insights of 1,2,3,4-Tetrahydrocyclohepta[b]indolium-6-olate
The XLogP value of 3.1 indicates that 1,2,3,4-Tetrahydrocyclohepta[b]indolium-6-olate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.9 Ų, 1,2,3,4-Tetrahydrocyclohepta[b]indolium-6-olate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4-Tetrahydrocyclohepta[b]indolium-6-olate 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 1,2,3,4-Tetrahydrocyclohepta[b]indolium-6-olate?
The CAS number of 1,2,3,4-Tetrahydrocyclohepta[b]indolium-6-olate is 55438-20-5.
What is the molecular formula of 1,2,3,4-Tetrahydrocyclohepta[b]indolium-6-olate?
The molecular formula of 1,2,3,4-Tetrahydrocyclohepta[b]indolium-6-olate is C13H13NO.
What is the molecular weight of 1,2,3,4-Tetrahydrocyclohepta[b]indolium-6-olate?
The molecular weight of 1,2,3,4-Tetrahydrocyclohepta[b]indolium-6-olate is 199.10 g/mol.
Where can I buy 1,2,3,4-Tetrahydrocyclohepta[b]indolium-6-olate?
You can request a quote for 1,2,3,4-Tetrahydrocyclohepta[b]indolium-6-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4-Tetrahydrocyclohepta[b]indolium-6-olate?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4-Tetrahydrocyclohepta[b]indolium-6-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.