Isonicotinamide, N-(3-(3-indolyl)propyl)-, hydrochloride, hydrate
TL;DR: Isonicotinamide, N-(3-(3-indolyl)propyl)-, hydrochloride, hydrate (CAS 72612-06-7) is a chemical compound with molecular formula C17H17ClN3O- and molecular weight 314.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(1H-indol-3-yl)propyl]pyridine-4-carboxamide chloride
Also Known As: N-(3-(3-Indolyl)propyl)isonicotinamide hydrochloride hydrate, ISONICOTINAMIDE, N-(3-(3-INDOLYL)PROPYL)-, HYDROCHLORIDE, HYDRATE, N-[3-(1H-indol-3-yl)propyl]pyridine-4-carboxamide chloride, RefChem:1087592
| Molecular Formula | C17H17ClN3O- |
|---|---|
| Molecular Weight | 314.11 g/mol |
| LogP | -0.07 |
| Topological Polar Surface Area | 57.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.10602 |
| Heavy Atoms | 22 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 72612-06-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CCCNC(=O)C3=CC=NC=C3.[Cl-] |
| InChIKey | YJKNHOIFKSWNLR-UHFFFAOYSA-M |
Product Overview
Isonicotinamide, N-(3-(3-indolyl)propyl)-, hydrochloride, hydrate (CAS 72612-06-7), with molecular formula C17H17ClN3O- and molecular weight 314.11 g/mol. IUPAC: N-[3-(1H-indol-3-yl)propyl]pyridine-4-carboxamide chloride.
Chemical Property Profile of Isonicotinamide, N-(3-(3-indolyl)propyl)-, hydrochloride, hydrate
Property Insights of Isonicotinamide, N-(3-(3-indolyl)propyl)-, hydrochloride, hydrate
The XLogP value of -0.07 indicates that Isonicotinamide, N-(3-(3-indolyl)propyl)-, hydrochloride, hydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.8 Ų, Isonicotinamide, N-(3-(3-indolyl)propyl)-, hydrochloride, hydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isonicotinamide, N-(3-(3-indolyl)propyl)-, hydrochloride, hydrate 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 Isonicotinamide, N-(3-(3-indolyl)propyl)-, hydrochloride, hydrate?
The CAS number of Isonicotinamide, N-(3-(3-indolyl)propyl)-, hydrochloride, hydrate is 72612-06-7.
What is the molecular formula of Isonicotinamide, N-(3-(3-indolyl)propyl)-, hydrochloride, hydrate?
The molecular formula of Isonicotinamide, N-(3-(3-indolyl)propyl)-, hydrochloride, hydrate is C17H17ClN3O-.
What is the molecular weight of Isonicotinamide, N-(3-(3-indolyl)propyl)-, hydrochloride, hydrate?
The molecular weight of Isonicotinamide, N-(3-(3-indolyl)propyl)-, hydrochloride, hydrate is 314.11 g/mol.
Where can I buy Isonicotinamide, N-(3-(3-indolyl)propyl)-, hydrochloride, hydrate?
You can request a quote for Isonicotinamide, N-(3-(3-indolyl)propyl)-, hydrochloride, hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isonicotinamide, N-(3-(3-indolyl)propyl)-, hydrochloride, hydrate?
Yes, KEHONG BIO provides custom synthesis services for Isonicotinamide, N-(3-(3-indolyl)propyl)-, hydrochloride, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.