Cambridge id 5308002
TL;DR: Cambridge id 5308002 (CAS 330179-33-4) is a chemical compound with molecular formula C18H10BrN3O2S and molecular weight 410.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-bromophenyl)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: (E)-3-(4-bromophenyl)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile, 3-(4-bromophenyl)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acrylonitrile, (E)-3-(4-bromophenyl)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile, 3-(4-bromophenyl)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile, Cambridge id 5308002
| Molecular Formula | C18H10BrN3O2S |
|---|---|
| Molecular Weight | 410.97 g/mol |
| LogP | 5.54498 |
| Topological Polar Surface Area | 79.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.9677 |
| Heavy Atoms | 25 |
| Complexity | 986.4107 |
Chemical Identifiers
| CAS Number | 330179-33-4 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C(\C#N)/C2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])Br |
Product Overview
Cambridge id 5308002 (CAS 330179-33-4), with molecular formula C18H10BrN3O2S and molecular weight 410.97 g/mol. IUPAC: (E)-3-(4-bromophenyl)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of Cambridge id 5308002
Property Insights of Cambridge id 5308002
The XLogP value of 5.54498 indicates that Cambridge id 5308002 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.82 Ų falls within the moderate polarity range, balancing permeability and solubility for Cambridge id 5308002. Following Lipinski's Rule of Five, Cambridge id 5308002 has 0 hydrogen bond donor(s) and 5 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 5308002?
The CAS number of Cambridge id 5308002 is 330179-33-4.
What is the molecular formula of Cambridge id 5308002?
The molecular formula of Cambridge id 5308002 is C18H10BrN3O2S.
What is the molecular weight of Cambridge id 5308002?
The molecular weight of Cambridge id 5308002 is 410.97 g/mol.
Where can I buy Cambridge id 5308002?
You can request a quote for Cambridge id 5308002 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cambridge id 5308002?
Yes, KEHONG BIO provides custom synthesis services for Cambridge id 5308002 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.