ChemDiv1_000559
TL;DR: ChemDiv1_000559 (CAS 353263-78-2) is a chemical compound with molecular formula C18H15N3O4 and molecular weight 337.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Also Known As: ChemDiv1_000559, BAS 00016297, (3S)-1-(2-NITROPHENYL)-2,3,4,9-TETRAHYDRO-1H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLIC ACID, 1-(2-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid, 1-(2-nitrophenyl)-1,2,3,4-tetrahydrobeta-carboline-3-carboxylic acid
| Molecular Formula | C18H15N3O4 |
|---|---|
| Molecular Weight | 337.11 g/mol |
| LogP | 2.7644 |
| Topological Polar Surface Area | 108.26 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.10626 |
| Heavy Atoms | 25 |
| Complexity | 994.9048 |
Chemical Identifiers
| CAS Number | 353263-78-2 |
|---|---|
| SMILES | C1C(NC(C2=C1C3=CC=CC=C3N2)C4=CC=CC=C4[N+](=O)[O-])C(=O)O |
Product Overview
ChemDiv1_000559 (CAS 353263-78-2), with molecular formula C18H15N3O4 and molecular weight 337.11 g/mol. IUPAC: 1-(2-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid.
Chemical Property Profile of ChemDiv1_000559
Property Insights of ChemDiv1_000559
The XLogP value of 2.7644 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_000559. The TPSA of 108.26 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_000559. Following Lipinski's Rule of Five, ChemDiv1_000559 has 3 hydrogen bond donor(s) and 4 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_000559?
The CAS number of ChemDiv1_000559 is 353263-78-2.
What is the molecular formula of ChemDiv1_000559?
The molecular formula of ChemDiv1_000559 is C18H15N3O4.
What is the molecular weight of ChemDiv1_000559?
The molecular weight of ChemDiv1_000559 is 337.11 g/mol.
Where can I buy ChemDiv1_000559?
You can request a quote for ChemDiv1_000559 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000559?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000559 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.