RefChem:349734
TL;DR: RefChem:349734 (CAS 3414-73-1) is a chemical compound with molecular formula C23H26ClN3O4 and molecular weight 443.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[(5-nitro-1H-indol-3-yl)methyl]-4-phenylpiperidin-1-ium-4-carboxylate chloride
Also Known As: 3-morpholin-4-ylmethyl-5-nitro-indole, Isonipecotic acid, 1-(5-nitro-3-indolylmethyl)-4-phenyl-, ethyl ester, hydrochloride, N-(5-Nitro-3-indolylmethyl)-1-phenylisonipecotic acid ethyl ester hydrochloride, ETHYL1-[(5-NITRO-1H-INDOL-3-YL)METHYL]-4-PHENYLPIPERIDIN-1-IUM-4-CARBOXYLATECHLORIDE, ethyl 1-[(5-nitro-1H-indol-3-yl)methyl]-4-phenylpiperidin-1-ium-4-carboxylate chloride
| Molecular Formula | C23H26ClN3O4 |
|---|---|
| Molecular Weight | 443.16 g/mol |
| LogP | -0.24 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.1612 |
| Heavy Atoms | 31 |
| Complexity | 608.0 |
Chemical Identifiers
| CAS Number | 3414-73-1 |
|---|---|
| SMILES | CCOC(=O)C1(CC[NH+](CC1)CC2=CNC3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4.[Cl-] |
| InChIKey | MYVIZFHTFIPCTJ-UHFFFAOYSA-N |
Product Overview
RefChem:349734 (CAS 3414-73-1), with molecular formula C23H26ClN3O4 and molecular weight 443.16 g/mol. IUPAC: ethyl 1-[(5-nitro-1H-indol-3-yl)methyl]-4-phenylpiperidin-1-ium-4-carboxylate chloride.
Chemical Property Profile of RefChem:349734
Property Insights of RefChem:349734
The XLogP value of -0.24 indicates that RefChem:349734 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:349734. Following Lipinski's Rule of Five, RefChem:349734 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 RefChem:349734?
The CAS number of RefChem:349734 is 3414-73-1.
What is the molecular formula of RefChem:349734?
The molecular formula of RefChem:349734 is C23H26ClN3O4.
What is the molecular weight of RefChem:349734?
The molecular weight of RefChem:349734 is 443.16 g/mol.
Where can I buy RefChem:349734?
You can request a quote for RefChem:349734 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349734?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349734 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.