5-苄氧基-1-氧代-2-丁基-2-茚满丙酸
TL;DR: 5-苄氧基-1-氧代-2-丁基-2-茚满丙酸 (CAS 84324-68-5) is a chemical compound with molecular formula C23H26O4 and molecular weight 366.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-苄氧基-1-氧代-2-丁基-2-茚满丙酸
butyl 3-(3-oxo-6-phenylmethoxy-1,2-dihydroinden-2-yl)propanoate
Also Known As: 5-Bobip, 5-Benzyloxy-1-oxo-2-butyl-2-indan propionic acid, butyl 3-[5-(benzyloxy)-1-oxo-2,3-dihydro-1h-inden-2-yl]propanoate, butyl 3-(5-benzyloxy-1-oxo-indan-2-yl)propanoate, 3-(5-Benzyloxy-2-butyl-1-oxo-indan-2-yl)-propionic acid
| Molecular Formula | C23H26O4 |
|---|---|
| Molecular Weight | 366.18 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 366.1831 |
| Heavy Atoms | 27 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 84324-68-5 |
|---|---|
| SMILES | CCCCOC(=O)CCC1CC2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3 |
| InChIKey | IDROYMAZHPWYMG-UHFFFAOYSA-N |
Product Overview
5-苄氧基-1-氧代-2-丁基-2-茚满丙酸 (CAS 84324-68-5), with molecular formula C23H26O4 and molecular weight 366.18 g/mol. IUPAC: butyl 3-(3-oxo-6-phenylmethoxy-1,2-dihydroinden-2-yl)propanoate.
Chemical Property Profile of 5-苄氧基-1-氧代-2-丁基-2-茚满丙酸
Property Insights of 5-苄氧基-1-氧代-2-丁基-2-茚满丙酸
The XLogP value of 4.6 indicates that 5-苄氧基-1-氧代-2-丁基-2-茚满丙酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 5-苄氧基-1-氧代-2-丁基-2-茚满丙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-苄氧基-1-氧代-2-丁基-2-茚满丙酸 has 0 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 5-苄氧基-1-氧代-2-丁基-2-茚满丙酸?
The CAS number of 5-苄氧基-1-氧代-2-丁基-2-茚满丙酸 is 84324-68-5.
What is the molecular formula of 5-苄氧基-1-氧代-2-丁基-2-茚满丙酸?
The molecular formula of 5-苄氧基-1-氧代-2-丁基-2-茚满丙酸 is C23H26O4.
What is the molecular weight of 5-苄氧基-1-氧代-2-丁基-2-茚满丙酸?
The molecular weight of 5-苄氧基-1-氧代-2-丁基-2-茚满丙酸 is 366.18 g/mol.
Where can I buy 5-苄氧基-1-氧代-2-丁基-2-茚满丙酸?
You can request a quote for 5-苄氧基-1-氧代-2-丁基-2-茚满丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-苄氧基-1-氧代-2-丁基-2-茚满丙酸?
Yes, KEHONG BIO provides custom synthesis services for 5-苄氧基-1-氧代-2-丁基-2-茚满丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.