![2,3,4,9-Tetrahydro-6-nitro-1H-pyrido[3,4-b]indol-1-one structure](/static/products/1795/17952-86-2.webp)
2,3,4,9-Tetrahydro-6-nitro-1H-pyrido[3,4-b]indol-1-one
TL;DR: 2,3,4,9-Tetrahydro-6-nitro-1H-pyrido[3,4-b]indol-1-one (CAS 17952-86-2) is a chemical compound with molecular formula C11H9N3O3 and molecular weight 231.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
Also Known As: ChemDiv1_010227, ZERO/001834, 6-nitro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one, 6-Nitro-2,3,4,9-tetrahydro-beta-carbolin-1-one, BAS 02078457
| Molecular Formula | C11H9N3O3 |
|---|---|
| Molecular Weight | 231.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 231.06439 |
| Heavy Atoms | 17 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 17952-86-2 |
|---|---|
| SMILES | C1CNC(=O)C2=C1C3=C(N2)C=CC(=C3)[N+](=O)[O-] |
| InChIKey | OGWVNBMJFPRUIP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,4,9-Tetrahydro-6-nitro-1H-pyrido[3,4-b]indol-1-one (CAS 17952-86-2), with molecular formula C11H9N3O3 and molecular weight 231.06 g/mol. IUPAC: 6-nitro-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one.
Chemical Property Profile of 2,3,4,9-Tetrahydro-6-nitro-1H-pyrido[3,4-b]indol-1-one
Property Insights of 2,3,4,9-Tetrahydro-6-nitro-1H-pyrido[3,4-b]indol-1-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4,9-Tetrahydro-6-nitro-1H-pyrido[3,4-b]indol-1-one. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,4,9-Tetrahydro-6-nitro-1H-pyrido[3,4-b]indol-1-one. Following Lipinski's Rule of Five, 2,3,4,9-Tetrahydro-6-nitro-1H-pyrido[3,4-b]indol-1-one has 2 hydrogen bond donor(s) and 3 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 2,3,4,9-Tetrahydro-6-nitro-1H-pyrido[3,4-b]indol-1-one?
The CAS number of 2,3,4,9-Tetrahydro-6-nitro-1H-pyrido[3,4-b]indol-1-one is 17952-86-2.
What is the molecular formula of 2,3,4,9-Tetrahydro-6-nitro-1H-pyrido[3,4-b]indol-1-one?
The molecular formula of 2,3,4,9-Tetrahydro-6-nitro-1H-pyrido[3,4-b]indol-1-one is C11H9N3O3.
What is the molecular weight of 2,3,4,9-Tetrahydro-6-nitro-1H-pyrido[3,4-b]indol-1-one?
The molecular weight of 2,3,4,9-Tetrahydro-6-nitro-1H-pyrido[3,4-b]indol-1-one is 231.06 g/mol.
Where can I buy 2,3,4,9-Tetrahydro-6-nitro-1H-pyrido[3,4-b]indol-1-one?
You can request a quote for 2,3,4,9-Tetrahydro-6-nitro-1H-pyrido[3,4-b]indol-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,9-Tetrahydro-6-nitro-1H-pyrido[3,4-b]indol-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,9-Tetrahydro-6-nitro-1H-pyrido[3,4-b]indol-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.