1,1'-Biphenyl, 4-bromo-4'-isothiocyanatomethyl-
TL;DR: 1,1'-Biphenyl, 4-bromo-4'-isothiocyanatomethyl- (CAS 2235-76-9) is a chemical compound with molecular formula C14H10BrNS and molecular weight 302.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-4-[4-(isothiocyanatomethyl)phenyl]benzene
Also Known As: B14H10BrNS, B14-H10-Br-N-S, 1,1'-Biphenyl, 4-bromo-4'-isothiocyanatomethyl-, 4-Bromo-4'-biphenylmethylisothiocyanate, KST-1B1828
| Molecular Formula | C14H10BrNS |
|---|---|
| Molecular Weight | 302.97 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.97174 |
| Heavy Atoms | 17 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 2235-76-9 |
|---|---|
| SMILES | C1=CC(=CC=C1CN=C=S)C2=CC=C(C=C2)Br |
| InChIKey | XPBFXCGRVDYVDO-UHFFFAOYSA-N |
Product Overview
1,1'-Biphenyl, 4-bromo-4'-isothiocyanatomethyl- (CAS 2235-76-9), with molecular formula C14H10BrNS and molecular weight 302.97 g/mol. IUPAC: 1-bromo-4-[4-(isothiocyanatomethyl)phenyl]benzene.
Chemical Property Profile of 1,1'-Biphenyl, 4-bromo-4'-isothiocyanatomethyl-
Property Insights of 1,1'-Biphenyl, 4-bromo-4'-isothiocyanatomethyl-
The XLogP value of 5.6 indicates that 1,1'-Biphenyl, 4-bromo-4'-isothiocyanatomethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.5 Ų, 1,1'-Biphenyl, 4-bromo-4'-isothiocyanatomethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1'-Biphenyl, 4-bromo-4'-isothiocyanatomethyl- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1'-Biphenyl, 4-bromo-4'-isothiocyanatomethyl-?
The CAS number of 1,1'-Biphenyl, 4-bromo-4'-isothiocyanatomethyl- is 2235-76-9.
What is the molecular formula of 1,1'-Biphenyl, 4-bromo-4'-isothiocyanatomethyl-?
The molecular formula of 1,1'-Biphenyl, 4-bromo-4'-isothiocyanatomethyl- is C14H10BrNS.
What is the molecular weight of 1,1'-Biphenyl, 4-bromo-4'-isothiocyanatomethyl-?
The molecular weight of 1,1'-Biphenyl, 4-bromo-4'-isothiocyanatomethyl- is 302.97 g/mol.
Where can I buy 1,1'-Biphenyl, 4-bromo-4'-isothiocyanatomethyl-?
You can request a quote for 1,1'-Biphenyl, 4-bromo-4'-isothiocyanatomethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-Biphenyl, 4-bromo-4'-isothiocyanatomethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Biphenyl, 4-bromo-4'-isothiocyanatomethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.