methyl 1-(4-nitrophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate
TL;DR: methyl 1-(4-nitrophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate (CAS 82789-21-7) is a chemical compound with molecular formula C19H17N3O4 and molecular weight 351.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(4-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Also Known As: BAS 00297259, methyl 1-(4-nitrophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate, J1.896.012E, methyl 1-(4-nitrophenyl)-1,2,3,4-tetrahydrobeta-carboline-3-carboxylate, METHYL 1-(4-NITROPHENYL)-1H,2H,3H,4H,9H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLATE
| Molecular Formula | C19H17N3O4 |
|---|---|
| Molecular Weight | 351.12 g/mol |
| LogP | 2.8528 |
| Topological Polar Surface Area | 97.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.12192 |
| Heavy Atoms | 26 |
| Complexity | 993.69183 |
Chemical Identifiers
| CAS Number | 82789-21-7 |
|---|---|
| SMILES | COC(=O)C1CC2=C(C(N1)C3=CC=C(C=C3)[N+](=O)[O-])NC4=CC=CC=C24 |
Product Overview
methyl 1-(4-nitrophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate (CAS 82789-21-7), with molecular formula C19H17N3O4 and molecular weight 351.12 g/mol. IUPAC: methyl 1-(4-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate.
Chemical Property Profile of methyl 1-(4-nitrophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate
Property Insights of methyl 1-(4-nitrophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate
The XLogP value of 2.8528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1-(4-nitrophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate. The TPSA of 97.26 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 1-(4-nitrophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate. Following Lipinski's Rule of Five, methyl 1-(4-nitrophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate has 2 hydrogen bond donor(s) and 5 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 methyl 1-(4-nitrophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate?
The CAS number of methyl 1-(4-nitrophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate is 82789-21-7.
What is the molecular formula of methyl 1-(4-nitrophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate?
The molecular formula of methyl 1-(4-nitrophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate is C19H17N3O4.
What is the molecular weight of methyl 1-(4-nitrophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate?
The molecular weight of methyl 1-(4-nitrophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate is 351.12 g/mol.
Where can I buy methyl 1-(4-nitrophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate?
You can request a quote for methyl 1-(4-nitrophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 1-(4-nitrophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-(4-nitrophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.