(6-Chloro-5-methyl-1-benzofuran-3-yl)acetic acid
TL;DR: (6-Chloro-5-methyl-1-benzofuran-3-yl)acetic acid (CAS 900877-99-8) is a chemical compound with molecular formula C11H9ClO3 and molecular weight 224.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-chloro-5-methyl-1-benzofuran-3-yl)acetic acid
Also Known As: 2-(6-chloro-5-methylbenzofuran-3-yl)acetic acid, (6-chloro-5-methyl-1-benzofuran-3-yl)acetic acid, 2-(6-chloro-5-methyl-benzofuran-3-yl)acetic Acid, 2-(6-chloro-5-methyl-1-benzofuran-3-yl)acetic acid
| Molecular Formula | C11H9ClO3 |
|---|---|
| Molecular Weight | 224.02 g/mol |
| LogP | 3.02172 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.02402 |
| Heavy Atoms | 15 |
| Complexity | 527.8577 |
Chemical Identifiers
| CAS Number | 900877-99-8 |
|---|---|
| SMILES | CC1=CC2=C(C=C1Cl)OC=C2CC(=O)O |
Product Overview
(6-Chloro-5-methyl-1-benzofuran-3-yl)acetic acid (CAS 900877-99-8), with molecular formula C11H9ClO3 and molecular weight 224.02 g/mol. IUPAC: 2-(6-chloro-5-methyl-1-benzofuran-3-yl)acetic acid.
Chemical Property Profile of (6-Chloro-5-methyl-1-benzofuran-3-yl)acetic acid
Property Insights of (6-Chloro-5-methyl-1-benzofuran-3-yl)acetic acid
The XLogP value of 3.02172 indicates that (6-Chloro-5-methyl-1-benzofuran-3-yl)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.44 Ų, (6-Chloro-5-methyl-1-benzofuran-3-yl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (6-Chloro-5-methyl-1-benzofuran-3-yl)acetic acid has 1 hydrogen bond donor(s) and 2 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 (6-Chloro-5-methyl-1-benzofuran-3-yl)acetic acid?
The CAS number of (6-Chloro-5-methyl-1-benzofuran-3-yl)acetic acid is 900877-99-8.
What is the molecular formula of (6-Chloro-5-methyl-1-benzofuran-3-yl)acetic acid?
The molecular formula of (6-Chloro-5-methyl-1-benzofuran-3-yl)acetic acid is C11H9ClO3.
What is the molecular weight of (6-Chloro-5-methyl-1-benzofuran-3-yl)acetic acid?
The molecular weight of (6-Chloro-5-methyl-1-benzofuran-3-yl)acetic acid is 224.02 g/mol.
Where can I buy (6-Chloro-5-methyl-1-benzofuran-3-yl)acetic acid?
You can request a quote for (6-Chloro-5-methyl-1-benzofuran-3-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-Chloro-5-methyl-1-benzofuran-3-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (6-Chloro-5-methyl-1-benzofuran-3-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.