2-(6,7,8,9-Tetrahydro-5H-benzo(7)annulen-5-yl)propanoic acid
TL;DR: 2-(6,7,8,9-Tetrahydro-5H-benzo(7)annulen-5-yl)propanoic acid (CAS 57421-31-5) is a chemical compound with molecular formula C14H18O2 and molecular weight 218.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanoic acid
Also Known As: 4-09-00-02152 (Beilstein Handbook Reference), 2-(6,7,8,9-Tetrahydro-5H-benzocyclohepten-5-yl)propionic acid, 6,7,8,9-Tetrahydro-alpha-methyl-5H-benzocycloheptene-5-acetic acid, 5H-Benzocycloheptene-5-acetic acid, 6,7,8,9-tetrahydro-alpha-methyl-, 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanoic acid
| Molecular Formula | C14H18O2 |
|---|---|
| Molecular Weight | 218.13 g/mol |
| LogP | 3.2173 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.13068 |
| Heavy Atoms | 16 |
| Complexity | 384.07666 |
Chemical Identifiers
| CAS Number | 57421-31-5 |
|---|---|
| SMILES | CC(C1CCCCC2=CC=CC=C12)C(=O)O |
Product Overview
2-(6,7,8,9-Tetrahydro-5H-benzo(7)annulen-5-yl)propanoic acid (CAS 57421-31-5), with molecular formula C14H18O2 and molecular weight 218.13 g/mol. IUPAC: 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanoic acid.
Chemical Property Profile of 2-(6,7,8,9-Tetrahydro-5H-benzo(7)annulen-5-yl)propanoic acid
Property Insights of 2-(6,7,8,9-Tetrahydro-5H-benzo(7)annulen-5-yl)propanoic acid
The XLogP value of 3.2173 indicates that 2-(6,7,8,9-Tetrahydro-5H-benzo(7)annulen-5-yl)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2-(6,7,8,9-Tetrahydro-5H-benzo(7)annulen-5-yl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(6,7,8,9-Tetrahydro-5H-benzo(7)annulen-5-yl)propanoic acid has 1 hydrogen bond donor(s) and 1 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 2-(6,7,8,9-Tetrahydro-5H-benzo(7)annulen-5-yl)propanoic acid?
The CAS number of 2-(6,7,8,9-Tetrahydro-5H-benzo(7)annulen-5-yl)propanoic acid is 57421-31-5.
What is the molecular formula of 2-(6,7,8,9-Tetrahydro-5H-benzo(7)annulen-5-yl)propanoic acid?
The molecular formula of 2-(6,7,8,9-Tetrahydro-5H-benzo(7)annulen-5-yl)propanoic acid is C14H18O2.
What is the molecular weight of 2-(6,7,8,9-Tetrahydro-5H-benzo(7)annulen-5-yl)propanoic acid?
The molecular weight of 2-(6,7,8,9-Tetrahydro-5H-benzo(7)annulen-5-yl)propanoic acid is 218.13 g/mol.
Where can I buy 2-(6,7,8,9-Tetrahydro-5H-benzo(7)annulen-5-yl)propanoic acid?
You can request a quote for 2-(6,7,8,9-Tetrahydro-5H-benzo(7)annulen-5-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(6,7,8,9-Tetrahydro-5H-benzo(7)annulen-5-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(6,7,8,9-Tetrahydro-5H-benzo(7)annulen-5-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.