A2967/0124987
TL;DR: A2967/0124987 (CAS 402953-35-9) is a chemical compound with molecular formula C22H17BrN2OS and molecular weight 436.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E,4Z)-4-bromo-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-phenylpenta-2,4-dienenitrile
Also Known As: A2967/0124987, (2E,4Z)-4-bromo-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-phenylpenta-2,4-dienenitrile, (2E,4E)-4-bromo-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-phenylpenta-2,4-dienenitrile, (1E,3Z)-3-BROMO-1-[4-(4-ETHOXYPHENYL)-1,3-THIAZOL-2-YL]-4-PHENYL-1,3-BUTADIENYL CYANIDE
| Molecular Formula | C22H17BrN2OS |
|---|---|
| Molecular Weight | 436.02 g/mol |
| LogP | 6.55178 |
| Topological Polar Surface Area | 45.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 436.0245 |
| Heavy Atoms | 27 |
| Complexity | 998.797 |
Chemical Identifiers
| CAS Number | 402953-35-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=CSC(=N2)/C(=C/C(=C/C3=CC=CC=C3)/Br)/C#N |
Product Overview
A2967/0124987 (CAS 402953-35-9), with molecular formula C22H17BrN2OS and molecular weight 436.02 g/mol. IUPAC: (2E,4Z)-4-bromo-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-phenylpenta-2,4-dienenitrile.
Chemical Property Profile of A2967/0124987
Property Insights of A2967/0124987
The XLogP value of 6.55178 indicates that A2967/0124987 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.91 Ų, A2967/0124987 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A2967/0124987 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 A2967/0124987?
The CAS number of A2967/0124987 is 402953-35-9.
What is the molecular formula of A2967/0124987?
The molecular formula of A2967/0124987 is C22H17BrN2OS.
What is the molecular weight of A2967/0124987?
The molecular weight of A2967/0124987 is 436.02 g/mol.
Where can I buy A2967/0124987?
You can request a quote for A2967/0124987 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2967/0124987?
Yes, KEHONG BIO provides custom synthesis services for A2967/0124987 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.