IN 274
TL;DR: IN 274 (CAS 63731-86-2) is a chemical compound with molecular formula C19H31Br2N3 and molecular weight 459.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-2-yl)propyl-trimethylazanium dibromide
Also Known As: IN 274, 9H-Pyrido(3.4-b)indolium, 1,2,3,4-tetrahydro-1,2-dimethyl-2-(3-(trimethylammonio), propyl)-, dibromide, 1,2-Dimethyl-2-[3-(trimethylazaniumyl)propyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium dibromide, 1H-Pyrido[3,4-b]indolium, 2,3,4,9-tetrahydro-1,2-dimethyl-2-[3-(trimethylammonio)propyl]-, dibromide, 3-(1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-2-yl)propyl-trimethylazanium dibromide
| Molecular Formula | C19H31Br2N3 |
|---|---|
| Molecular Weight | 459.09 g/mol |
| LogP | -2.6641 |
| Topological Polar Surface Area | 15.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 459.08847 |
| Heavy Atoms | 24 |
| Complexity | 674.792 |
Chemical Identifiers
| CAS Number | 63731-86-2 |
|---|---|
| SMILES | CC1C2=C(CC[N+]1(C)CCC[N+](C)(C)C)C3=CC=CC=C3N2.[Br-].[Br-] |
Product Overview
IN 274 (CAS 63731-86-2), with molecular formula C19H31Br2N3 and molecular weight 459.09 g/mol. IUPAC: 3-(1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-2-yl)propyl-trimethylazanium dibromide.
Chemical Property Profile of IN 274
Property Insights of IN 274
The XLogP value of -2.6641 indicates that IN 274 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 15.79 Ų, IN 274 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IN 274 has 1 hydrogen bond donor(s) and 0 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 IN 274?
The CAS number of IN 274 is 63731-86-2.
What is the molecular formula of IN 274?
The molecular formula of IN 274 is C19H31Br2N3.
What is the molecular weight of IN 274?
The molecular weight of IN 274 is 459.09 g/mol.
Where can I buy IN 274?
You can request a quote for IN 274 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IN 274?
Yes, KEHONG BIO provides custom synthesis services for IN 274 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.