![1-(4-chloro-3-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole structure](/static/products/7449/744949-05-1.webp)
1-(4-chloro-3-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
TL;DR: 1-(4-chloro-3-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (CAS 744949-05-1) is a chemical compound with molecular formula C17H14ClN3O2 and molecular weight 327.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chloro-3-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Also Known As: 1-(4-chloro-3-nitrophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride, 1-(4-chloro-3-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole, 1-(4-Chloro-3-nitrophenyl)-2,3,4,9-tetrahydro-1H-b-carboline
| Molecular Formula | C17H14ClN3O2 |
|---|---|
| Molecular Weight | 327.08 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 73.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 327.07745 |
| Heavy Atoms | 23 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 744949-05-1 |
|---|---|
| SMILES | C1CNC(C2=C1C3=CC=CC=C3N2)C4=CC(=C(C=C4)Cl)[N+](=O)[O-] |
| InChIKey | IMYRAKNYVMMXFX-UHFFFAOYSA-N |
Product Overview
1-(4-chloro-3-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (CAS 744949-05-1), with molecular formula C17H14ClN3O2 and molecular weight 327.08 g/mol. IUPAC: 1-(4-chloro-3-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.
Chemical Property Profile of 1-(4-chloro-3-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Property Insights of 1-(4-chloro-3-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
The XLogP value of 3.6 indicates that 1-(4-chloro-3-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-chloro-3-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole. Following Lipinski's Rule of Five, 1-(4-chloro-3-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole 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 1-(4-chloro-3-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The CAS number of 1-(4-chloro-3-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is 744949-05-1.
What is the molecular formula of 1-(4-chloro-3-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The molecular formula of 1-(4-chloro-3-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is C17H14ClN3O2.
What is the molecular weight of 1-(4-chloro-3-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The molecular weight of 1-(4-chloro-3-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is 327.08 g/mol.
Where can I buy 1-(4-chloro-3-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
You can request a quote for 1-(4-chloro-3-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-chloro-3-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chloro-3-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.