![(Z)-3-[4-bromo-5-(dimethylamino)furan-2-yl]-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid structure](/static/products/100/1004080-55-0.png)
(Z)-3-[4-bromo-5-(dimethylamino)furan-2-yl]-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
TL;DR: (Z)-3-[4-bromo-5-(dimethylamino)furan-2-yl]-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid (CAS 1004080-55-0) is a chemical compound with molecular formula C14H17BrN4O3S and molecular weight 400.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-[4-bromo-5-(dimethylamino)furan-2-yl]-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
Also Known As: (Z)-3-[4-bromo-5-(dimethylamino)furan-2-yl]-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid, 2-Propenoic acid, 3-[4-bromo-5-(dimethylamino)-2-furanyl]-2-[(3-propyl-1H-1,2,4-triazol-5-yl)thio]-, (2Z)-
| Molecular Formula | C14H17BrN4O3S |
|---|---|
| Molecular Weight | 400.02 g/mol |
| LogP | 3.3965 |
| Topological Polar Surface Area | 95.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.02048 |
| Heavy Atoms | 23 |
| Complexity | 723.43085 |
Chemical Identifiers
| CAS Number | 1004080-55-0 |
|---|---|
| SMILES | CCCC1=NC(=NN1)S/C(=C\C2=CC(=C(O2)N(C)C)Br)/C(=O)O |
Product Overview
(Z)-3-[4-bromo-5-(dimethylamino)furan-2-yl]-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid (CAS 1004080-55-0), with molecular formula C14H17BrN4O3S and molecular weight 400.02 g/mol. IUPAC: (Z)-3-[4-bromo-5-(dimethylamino)furan-2-yl]-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid.
Chemical Property Profile of (Z)-3-[4-bromo-5-(dimethylamino)furan-2-yl]-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
Property Insights of (Z)-3-[4-bromo-5-(dimethylamino)furan-2-yl]-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
The XLogP value of 3.3965 indicates that (Z)-3-[4-bromo-5-(dimethylamino)furan-2-yl]-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.25 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-[4-bromo-5-(dimethylamino)furan-2-yl]-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid. Following Lipinski's Rule of Five, (Z)-3-[4-bromo-5-(dimethylamino)furan-2-yl]-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-3-[4-bromo-5-(dimethylamino)furan-2-yl]-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid?
The CAS number of (Z)-3-[4-bromo-5-(dimethylamino)furan-2-yl]-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid is 1004080-55-0.
What is the molecular formula of (Z)-3-[4-bromo-5-(dimethylamino)furan-2-yl]-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid?
The molecular formula of (Z)-3-[4-bromo-5-(dimethylamino)furan-2-yl]-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid is C14H17BrN4O3S.
What is the molecular weight of (Z)-3-[4-bromo-5-(dimethylamino)furan-2-yl]-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid?
The molecular weight of (Z)-3-[4-bromo-5-(dimethylamino)furan-2-yl]-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid is 400.02 g/mol.
Where can I buy (Z)-3-[4-bromo-5-(dimethylamino)furan-2-yl]-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid?
You can request a quote for (Z)-3-[4-bromo-5-(dimethylamino)furan-2-yl]-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-3-[4-bromo-5-(dimethylamino)furan-2-yl]-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-[4-bromo-5-(dimethylamino)furan-2-yl]-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.