gamma-(2-Furanylmethylene)-2-benzothiazolebutanoic acid
TL;DR: gamma-(2-Furanylmethylene)-2-benzothiazolebutanoic acid (CAS 852851-67-3) is a chemical compound with molecular formula C16H13NO3S and molecular weight 299.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzothiazol-2-yl)-5-(furan-2-yl)pent-4-enoic acid
Also Known As: 4-(1,3-benzothiazol-2-yl)-5-(furan-2-yl)pent-4-enoic acid, gamma-(2-Furanylmethylene)-2-benzothiazolebutanoic acid, 4-benzothiazol-2-yl-5-(2-furyl)pent-4-enoic Acid, I(3)-(2-Furanylmethylene)-2-benzothiazolebutanoic acid, (4E)-4-(1,3-BENZOTHIAZOL-2-YL)-5-(2-FURYL)PENT-4-ENOIC ACID
| Molecular Formula | C16H13NO3S |
|---|---|
| Molecular Weight | 299.06 g/mol |
| LogP | 4.2947 |
| Topological Polar Surface Area | 63.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.0616 |
| Heavy Atoms | 21 |
| Complexity | 753.82947 |
Chemical Identifiers
| CAS Number | 852851-67-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC=CO3)CCC(=O)O |
Product Overview
gamma-(2-Furanylmethylene)-2-benzothiazolebutanoic acid (CAS 852851-67-3), with molecular formula C16H13NO3S and molecular weight 299.06 g/mol. IUPAC: 4-(1,3-benzothiazol-2-yl)-5-(furan-2-yl)pent-4-enoic acid.
Chemical Property Profile of gamma-(2-Furanylmethylene)-2-benzothiazolebutanoic acid
Property Insights of gamma-(2-Furanylmethylene)-2-benzothiazolebutanoic acid
The XLogP value of 4.2947 indicates that gamma-(2-Furanylmethylene)-2-benzothiazolebutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.33 Ų falls within the moderate polarity range, balancing permeability and solubility for gamma-(2-Furanylmethylene)-2-benzothiazolebutanoic acid. Following Lipinski's Rule of Five, gamma-(2-Furanylmethylene)-2-benzothiazolebutanoic acid has 1 hydrogen bond donor(s) and 4 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 gamma-(2-Furanylmethylene)-2-benzothiazolebutanoic acid?
The CAS number of gamma-(2-Furanylmethylene)-2-benzothiazolebutanoic acid is 852851-67-3.
What is the molecular formula of gamma-(2-Furanylmethylene)-2-benzothiazolebutanoic acid?
The molecular formula of gamma-(2-Furanylmethylene)-2-benzothiazolebutanoic acid is C16H13NO3S.
What is the molecular weight of gamma-(2-Furanylmethylene)-2-benzothiazolebutanoic acid?
The molecular weight of gamma-(2-Furanylmethylene)-2-benzothiazolebutanoic acid is 299.06 g/mol.
Where can I buy gamma-(2-Furanylmethylene)-2-benzothiazolebutanoic acid?
You can request a quote for gamma-(2-Furanylmethylene)-2-benzothiazolebutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for gamma-(2-Furanylmethylene)-2-benzothiazolebutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for gamma-(2-Furanylmethylene)-2-benzothiazolebutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.