USAF IN-391
TL;DR: USAF IN-391 (CAS 21199-35-9) is a chemical compound with molecular formula C22H31Br2N3 and molecular weight 495.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[3-[4-[2-(1-methylindol-2-yl)ethyl]pyridin-1-ium-1-yl]propyl]azanium dibromide
Also Known As: USAF IN-391, Pyridinium, N-(3-trimethylaminopropyl)-4-(N-methyl-3-indolylethyl)-, dibromide, N-(3-Trimethylaminopropyl)-4-(N-methyl-3-indolylethyl) pyridinium dibromide, 4-(2-(1-Methylindol-3-yl)ethyl)-1-(3-(trimethylammonio)propyl)pyridinium dibromide, Ammonium, (3-(4-(2-(1-methylindol-3-yl)ethyl)pyridino)propyl)trimethyl-, dibromide
| Molecular Formula | C22H31Br2N3 |
|---|---|
| Molecular Weight | 495.09 g/mol |
| LogP | -2.64 |
| Topological Polar Surface Area | 8.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 497.08643 |
| Heavy Atoms | 27 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 21199-35-9 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C=C1CCC3=CC=[N+](C=C3)CCC[N+](C)(C)C.[Br-].[Br-] |
| InChIKey | NIRYDGHMDCQDDE-UHFFFAOYSA-L |
Product Overview
USAF IN-391 (CAS 21199-35-9), with molecular formula C22H31Br2N3 and molecular weight 495.09 g/mol. IUPAC: trimethyl-[3-[4-[2-(1-methylindol-2-yl)ethyl]pyridin-1-ium-1-yl]propyl]azanium dibromide.
Chemical Property Profile of USAF IN-391
Property Insights of USAF IN-391
The XLogP value of -2.64 indicates that USAF IN-391 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 8.8 Ų, USAF IN-391 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, USAF IN-391 has 0 hydrogen bond donor(s) and 2 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 USAF IN-391?
The CAS number of USAF IN-391 is 21199-35-9.
What is the molecular formula of USAF IN-391?
The molecular formula of USAF IN-391 is C22H31Br2N3.
What is the molecular weight of USAF IN-391?
The molecular weight of USAF IN-391 is 495.09 g/mol.
Where can I buy USAF IN-391?
You can request a quote for USAF IN-391 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for USAF IN-391?
Yes, KEHONG BIO provides custom synthesis services for USAF IN-391 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.