Cambridge id 5619081
TL;DR: Cambridge id 5619081 (CAS 374546-49-3) is a chemical compound with molecular formula C21H14N2O2S and molecular weight 358.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-phenylpenta-2,4-dienenitrile
Also Known As: 2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-phenylpenta-2,4-dienenitrile, 2-[4-(2H-1,3-Benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-phenylpenta-2,4-dienenitrile, 4-(1,3-Benzodioxol-5-yl)-I+/--(3-phenyl-2-propen-1-ylidene)-2-thiazoleacetonitrile, Cambridge id 5619081
| Molecular Formula | C21H14N2O2S |
|---|---|
| Molecular Weight | 358.08 g/mol |
| LogP | 5.15918 |
| Topological Polar Surface Area | 55.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.0776 |
| Heavy Atoms | 26 |
| Complexity | 1029.6647 |
Chemical Identifiers
| CAS Number | 374546-49-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)C(=CC=CC4=CC=CC=C4)C#N |
Product Overview
Cambridge id 5619081 (CAS 374546-49-3), with molecular formula C21H14N2O2S and molecular weight 358.08 g/mol. IUPAC: 2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-phenylpenta-2,4-dienenitrile.
Chemical Property Profile of Cambridge id 5619081
Property Insights of Cambridge id 5619081
The XLogP value of 5.15918 indicates that Cambridge id 5619081 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.14 Ų, Cambridge id 5619081 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cambridge id 5619081 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 5619081?
The CAS number of Cambridge id 5619081 is 374546-49-3.
What is the molecular formula of Cambridge id 5619081?
The molecular formula of Cambridge id 5619081 is C21H14N2O2S.
What is the molecular weight of Cambridge id 5619081?
The molecular weight of Cambridge id 5619081 is 358.08 g/mol.
Where can I buy Cambridge id 5619081?
You can request a quote for Cambridge id 5619081 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cambridge id 5619081?
Yes, KEHONG BIO provides custom synthesis services for Cambridge id 5619081 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.