m-Terphenyl-4'-ylamin
TL;DR: m-Terphenyl-4'-ylamin (CAS 63344-94-5) is a chemical compound with molecular formula C12H14BrN3O2S and molecular weight 343.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-dioxoisoindol-2-yl)propyl carbamimidothioate;hydrobromide
Also Known As: m-Terphenyl-4'-ylamin, 3-Phthalimidopropylisothiouronium bromide, {[3-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)propyl]sulfanyl}methanimidamide hydrobromide, Pseudourea, 2-(3-(phthalimido)propyl)-2-thio-, hydrobromide, 3-(1,3-dioxoisoindolin-2-yl)propyl carbamimidothioate hydrobromide
| Molecular Formula | C12H14BrN3O2S |
|---|---|
| Molecular Weight | 343.00 g/mol |
| LogP | 1.88 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.99902 |
| Heavy Atoms | 19 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 63344-94-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CCCSC(=N)N.Br |
| InChIKey | NNGWTFVCNNNUIH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
m-Terphenyl-4'-ylamin (CAS 63344-94-5), with molecular formula C12H14BrN3O2S and molecular weight 343.00 g/mol. IUPAC: 3-(1,3-dioxoisoindol-2-yl)propyl carbamimidothioate;hydrobromide.
Chemical Property Profile of m-Terphenyl-4'-ylamin
Property Insights of m-Terphenyl-4'-ylamin
The XLogP value of 1.88 suggests moderate lipophilicity, balancing water solubility and membrane permeability for m-Terphenyl-4'-ylamin. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for m-Terphenyl-4'-ylamin. Following Lipinski's Rule of Five, m-Terphenyl-4'-ylamin 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 m-Terphenyl-4'-ylamin?
The CAS number of m-Terphenyl-4'-ylamin is 63344-94-5.
What is the molecular formula of m-Terphenyl-4'-ylamin?
The molecular formula of m-Terphenyl-4'-ylamin is C12H14BrN3O2S.
What is the molecular weight of m-Terphenyl-4'-ylamin?
The molecular weight of m-Terphenyl-4'-ylamin is 343.00 g/mol.
Where can I buy m-Terphenyl-4'-ylamin?
You can request a quote for m-Terphenyl-4'-ylamin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-Terphenyl-4'-ylamin?
Yes, KEHONG BIO provides custom synthesis services for m-Terphenyl-4'-ylamin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.