Cambridge id 5231434
TL;DR: Cambridge id 5231434 (CAS 331950-66-4) is a chemical compound with molecular formula C16H9BrN2OS and molecular weight 355.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile
Also Known As: BAS 00666924, AB00076087-01, 2-[4-(4-Bromo-phenyl)-thiazol-2-yl]-3-furan-2-yl-acrylonitrile, 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-furyl)acrylonitrile, (E)-2-(4-(4-bromophenyl)thiazol-2-yl)-3-(furan-2-yl)acrylonitrile
| Molecular Formula | C16H9BrN2OS |
|---|---|
| Molecular Weight | 355.96 g/mol |
| LogP | 5.22978 |
| Topological Polar Surface Area | 49.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.9619 |
| Heavy Atoms | 21 |
| Complexity | 810.8415 |
Chemical Identifiers
| CAS Number | 331950-66-4 |
|---|---|
| SMILES | C1=COC(=C1)/C=C(\C#N)/C2=NC(=CS2)C3=CC=C(C=C3)Br |
Product Overview
Cambridge id 5231434 (CAS 331950-66-4), with molecular formula C16H9BrN2OS and molecular weight 355.96 g/mol. IUPAC: (E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile.
Chemical Property Profile of Cambridge id 5231434
Property Insights of Cambridge id 5231434
The XLogP value of 5.22978 indicates that Cambridge id 5231434 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.82 Ų, Cambridge id 5231434 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cambridge id 5231434 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cambridge id 5231434?
The CAS number of Cambridge id 5231434 is 331950-66-4.
What is the molecular formula of Cambridge id 5231434?
The molecular formula of Cambridge id 5231434 is C16H9BrN2OS.
What is the molecular weight of Cambridge id 5231434?
The molecular weight of Cambridge id 5231434 is 355.96 g/mol.
Where can I buy Cambridge id 5231434?
You can request a quote for Cambridge id 5231434 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cambridge id 5231434?
Yes, KEHONG BIO provides custom synthesis services for Cambridge id 5231434 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.