ChemDiv1_017588
TL;DR: ChemDiv1_017588 (CAS 387882-94-2) is a chemical compound with molecular formula C29H31N5O3 and molecular weight 497.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-methoxy-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Also Known As: ChemDiv1_017588, 1-(4-methoxy-3-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}phenyl)-2,3,4,9-tetrahydro-1H-beta-carboline, AJ-292/15300033, BRD-A90216861-001-01-6, 1-[4-methoxy-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
| Molecular Formula | C29H31N5O3 |
|---|---|
| Molecular Weight | 497.24 g/mol |
| LogP | 4.642 |
| Topological Polar Surface Area | 86.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 497.24268 |
| Heavy Atoms | 37 |
| Complexity | 1423.5137 |
Chemical Identifiers
| CAS Number | 387882-94-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C3=C(CCN2)C4=CC=CC=C4N3)CN5CCN(CC5)C6=CC=C(C=C6)[N+](=O)[O-] |
Product Overview
ChemDiv1_017588 (CAS 387882-94-2), with molecular formula C29H31N5O3 and molecular weight 497.24 g/mol. IUPAC: 1-[4-methoxy-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.
Chemical Property Profile of ChemDiv1_017588
Property Insights of ChemDiv1_017588
The XLogP value of 4.642 indicates that ChemDiv1_017588 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.67 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_017588. Following Lipinski's Rule of Five, ChemDiv1_017588 has 2 hydrogen bond donor(s) and 6 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 ChemDiv1_017588?
The CAS number of ChemDiv1_017588 is 387882-94-2.
What is the molecular formula of ChemDiv1_017588?
The molecular formula of ChemDiv1_017588 is C29H31N5O3.
What is the molecular weight of ChemDiv1_017588?
The molecular weight of ChemDiv1_017588 is 497.24 g/mol.
Where can I buy ChemDiv1_017588?
You can request a quote for ChemDiv1_017588 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_017588?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_017588 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.