A2978/0125548
TL;DR: A2978/0125548 (CAS 681855-76-5) is a chemical compound with molecular formula C21H19ClO7 and molecular weight 418.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[5-[(2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl]-2-chlorobenzoic acid
Also Known As: A2978/0125548, 5-[5-(2-Butyl-2-methyl-4,6-dioxo-[1,3]dioxan-5-ylidenemethyl)-furan-2-yl]-2-chloro-benzoic acid, 5-[5-[(2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl]-2-chlorobenzoic acid, 5-{5-[(2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}-2-chlorobenzoic acid, 5-(5-((2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)furan-2-yl)-2-chlorobenzoic acid
| Molecular Formula | C21H19ClO7 |
|---|---|
| Molecular Weight | 418.08 g/mol |
| LogP | 4.688 |
| Topological Polar Surface Area | 103.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.08194 |
| Heavy Atoms | 29 |
| Complexity | 982.2086 |
Chemical Identifiers
| CAS Number | 681855-76-5 |
|---|---|
| SMILES | CCCCC1(OC(=O)C(=CC2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(=O)O)C(=O)O1)C |
Product Overview
A2978/0125548 (CAS 681855-76-5), with molecular formula C21H19ClO7 and molecular weight 418.08 g/mol. IUPAC: 5-[5-[(2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl]-2-chlorobenzoic acid.
Chemical Property Profile of A2978/0125548
Property Insights of A2978/0125548
The XLogP value of 4.688 indicates that A2978/0125548 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.04 Ų falls within the moderate polarity range, balancing permeability and solubility for A2978/0125548. Following Lipinski's Rule of Five, A2978/0125548 has 1 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 A2978/0125548?
The CAS number of A2978/0125548 is 681855-76-5.
What is the molecular formula of A2978/0125548?
The molecular formula of A2978/0125548 is C21H19ClO7.
What is the molecular weight of A2978/0125548?
The molecular weight of A2978/0125548 is 418.08 g/mol.
Where can I buy A2978/0125548?
You can request a quote for A2978/0125548 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2978/0125548?
Yes, KEHONG BIO provides custom synthesis services for A2978/0125548 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.