5,8-dichloro-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one
TL;DR: 5,8-dichloro-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one (CAS 5376-46-5) is a chemical compound with molecular formula C11H8Cl2N2O and molecular weight 254.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,8-dichloro-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
Also Known As: ChemDiv1_000956, 5,8-dichloro-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one, 5,8-dichloro-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one, 5,8-dichloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one, 5,8-Dichloro-2,3,4,9-tetrahydro-beta-carbolin-1-one
| Molecular Formula | C11H8Cl2N2O |
|---|---|
| Molecular Weight | 254.00 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 44.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 254.00137 |
| Heavy Atoms | 16 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 5376-46-5 |
|---|---|
| SMILES | C1CNC(=O)C2=C1C3=C(C=CC(=C3N2)Cl)Cl |
| InChIKey | VJUGVVOGVWAGRV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,8-dichloro-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one (CAS 5376-46-5), with molecular formula C11H8Cl2N2O and molecular weight 254.00 g/mol. IUPAC: 5,8-dichloro-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one.
Chemical Property Profile of 5,8-dichloro-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one
Property Insights of 5,8-dichloro-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,8-dichloro-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one. With a topological polar surface area (TPSA) of 44.9 Ų, 5,8-dichloro-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,8-dichloro-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one has 2 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 5,8-dichloro-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one?
The CAS number of 5,8-dichloro-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one is 5376-46-5.
What is the molecular formula of 5,8-dichloro-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one?
The molecular formula of 5,8-dichloro-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one is C11H8Cl2N2O.
What is the molecular weight of 5,8-dichloro-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one?
The molecular weight of 5,8-dichloro-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one is 254.00 g/mol.
Where can I buy 5,8-dichloro-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one?
You can request a quote for 5,8-dichloro-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,8-dichloro-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 5,8-dichloro-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.