6-methyl-8-nitro-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one
TL;DR: 6-methyl-8-nitro-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one (CAS 94850-57-4) is a chemical compound with molecular formula C12H11N3O3 and molecular weight 245.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-8-nitro-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
Also Known As: ChemDiv1_000394, 6-methyl-8-nitro-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one, 6-methyl-8-nitro-2,3,4-trihydrobeta-carbolin-1-one, 6-methyl-8-nitro-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-one, 6-METHYL-8-NITRO-2,3,4,9-TETRAHYDRO-1H-PYRIDO[3,4-B]INDOL-1-ONE
| Molecular Formula | C12H11N3O3 |
|---|---|
| Molecular Weight | 245.08 g/mol |
| LogP | 1.67042 |
| Topological Polar Surface Area | 88.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.08005 |
| Heavy Atoms | 18 |
| Complexity | 687.4227 |
Chemical Identifiers
| CAS Number | 94850-57-4 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1)[N+](=O)[O-])NC3=C2CCNC3=O |
Product Overview
6-methyl-8-nitro-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one (CAS 94850-57-4), with molecular formula C12H11N3O3 and molecular weight 245.08 g/mol. IUPAC: 6-methyl-8-nitro-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one.
Chemical Property Profile of 6-methyl-8-nitro-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one
Property Insights of 6-methyl-8-nitro-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one
The XLogP value of 1.67042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-methyl-8-nitro-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one. The TPSA of 88.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-methyl-8-nitro-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one. Following Lipinski's Rule of Five, 6-methyl-8-nitro-2,3,4,9-tetrahydro-1H-beta-carbolin-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 6-methyl-8-nitro-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one?
The CAS number of 6-methyl-8-nitro-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one is 94850-57-4.
What is the molecular formula of 6-methyl-8-nitro-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one?
The molecular formula of 6-methyl-8-nitro-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one is C12H11N3O3.
What is the molecular weight of 6-methyl-8-nitro-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one?
The molecular weight of 6-methyl-8-nitro-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one is 245.08 g/mol.
Where can I buy 6-methyl-8-nitro-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one?
You can request a quote for 6-methyl-8-nitro-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 6-methyl-8-nitro-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 6-methyl-8-nitro-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.