![(Z)-4-bromo-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl propionate structure](/static/products/374/374094-84-5.png)
(Z)-4-bromo-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl propionate
TL;DR: (Z)-4-bromo-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl propionate (CAS 374094-84-5) is a chemical compound with molecular formula C18H13BrO3S and molecular weight 387.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-bromo-2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] propanoate
Also Known As: IDI1_020436, (Z)-4-bromo-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl propionate, [4-bromo-2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] propanoate, 4-bromo-2-[(Z)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl propanoate, 4-BROMO-2-{[(2Z)-3-OXO-2,3-DIHYDRO-1-BENZOTHIOPHEN-2-YLIDENE]METHYL}PHENYL PROPANOATE
| Molecular Formula | C18H13BrO3S |
|---|---|
| Molecular Weight | 387.98 g/mol |
| LogP | 5.094 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.97687 |
| Heavy Atoms | 23 |
| Complexity | 826.7665 |
Chemical Identifiers
| CAS Number | 374094-84-5 |
|---|---|
| SMILES | CCC(=O)OC1=C(C=C(C=C1)Br)/C=C\2/C(=O)C3=CC=CC=C3S2 |
Product Overview
(Z)-4-bromo-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl propionate (CAS 374094-84-5), with molecular formula C18H13BrO3S and molecular weight 387.98 g/mol. IUPAC: [4-bromo-2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] propanoate.
Chemical Property Profile of (Z)-4-bromo-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl propionate
Property Insights of (Z)-4-bromo-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl propionate
The XLogP value of 5.094 indicates that (Z)-4-bromo-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl propionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, (Z)-4-bromo-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-4-bromo-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl propionate 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 (Z)-4-bromo-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl propionate?
The CAS number of (Z)-4-bromo-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl propionate is 374094-84-5.
What is the molecular formula of (Z)-4-bromo-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl propionate?
The molecular formula of (Z)-4-bromo-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl propionate is C18H13BrO3S.
What is the molecular weight of (Z)-4-bromo-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl propionate?
The molecular weight of (Z)-4-bromo-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl propionate is 387.98 g/mol.
Where can I buy (Z)-4-bromo-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl propionate?
You can request a quote for (Z)-4-bromo-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-4-bromo-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl propionate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-bromo-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.