5-Benzofuranacetic acid, 2,3-dihydro-7-chloro-alpha,2,2-trimethyl-
TL;DR: 5-Benzofuranacetic acid, 2,3-dihydro-7-chloro-alpha,2,2-trimethyl- (CAS 57899-02-2) is a chemical compound with molecular formula C13H15ClO3 and molecular weight 254.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)propanoic acid
Also Known As: 5-18-06-00407 (Beilstein Handbook Reference), (7-Chloro-2,2-dimethyl-2,3-dihydrobenzofuran)-alpha-methyl-5-acetic acid, 5-BENZOFURANACETIC ACID, 2,3-DIHYDRO-7-CHLORO-alpha,2,2-TRIMETHYL-, 2-(7-Chloro-2,2-dimethyl-2,3-dihydro-1-benzofuran-5-yl)propanoic acid, 2-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)propanoic acid
| Molecular Formula | C13H15ClO3 |
|---|---|
| Molecular Weight | 254.07 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.07097 |
| Heavy Atoms | 17 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 57899-02-2 |
|---|---|
| SMILES | CC(C1=CC2=C(C(=C1)Cl)OC(C2)(C)C)C(=O)O |
| InChIKey | ZXIRWWZPOMQYML-UHFFFAOYSA-N |
Product Overview
5-Benzofuranacetic acid, 2,3-dihydro-7-chloro-alpha,2,2-trimethyl- (CAS 57899-02-2), with molecular formula C13H15ClO3 and molecular weight 254.07 g/mol. IUPAC: 2-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)propanoic acid.
Chemical Property Profile of 5-Benzofuranacetic acid, 2,3-dihydro-7-chloro-alpha,2,2-trimethyl-
Property Insights of 5-Benzofuranacetic acid, 2,3-dihydro-7-chloro-alpha,2,2-trimethyl-
The XLogP value of 3.2 indicates that 5-Benzofuranacetic acid, 2,3-dihydro-7-chloro-alpha,2,2-trimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 5-Benzofuranacetic acid, 2,3-dihydro-7-chloro-alpha,2,2-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Benzofuranacetic acid, 2,3-dihydro-7-chloro-alpha,2,2-trimethyl- has 1 hydrogen bond donor(s) and 3 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 5-Benzofuranacetic acid, 2,3-dihydro-7-chloro-alpha,2,2-trimethyl-?
The CAS number of 5-Benzofuranacetic acid, 2,3-dihydro-7-chloro-alpha,2,2-trimethyl- is 57899-02-2.
What is the molecular formula of 5-Benzofuranacetic acid, 2,3-dihydro-7-chloro-alpha,2,2-trimethyl-?
The molecular formula of 5-Benzofuranacetic acid, 2,3-dihydro-7-chloro-alpha,2,2-trimethyl- is C13H15ClO3.
What is the molecular weight of 5-Benzofuranacetic acid, 2,3-dihydro-7-chloro-alpha,2,2-trimethyl-?
The molecular weight of 5-Benzofuranacetic acid, 2,3-dihydro-7-chloro-alpha,2,2-trimethyl- is 254.07 g/mol.
Where can I buy 5-Benzofuranacetic acid, 2,3-dihydro-7-chloro-alpha,2,2-trimethyl-?
You can request a quote for 5-Benzofuranacetic acid, 2,3-dihydro-7-chloro-alpha,2,2-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzofuranacetic acid, 2,3-dihydro-7-chloro-alpha,2,2-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzofuranacetic acid, 2,3-dihydro-7-chloro-alpha,2,2-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.