RefChem:264532
TL;DR: RefChem:264532 (CAS 97720-49-5) is a chemical compound with molecular formula C12H15BrO4 and molecular weight 302.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-bromofuran-2-yl)-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: Valerian, Valeriana montana, ext., 1-(5-Bromo-2-furyl)-4-propylbicycloorthocarboxylate, 2-Orthofuroic acid, 5-bromo-, cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol, 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(5-bromo-2-furanyl)-4-propyl-, 5-Bromo-2-orthofuroic acid cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol
| Molecular Formula | C12H15BrO4 |
|---|---|
| Molecular Weight | 302.02 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 40.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.01538 |
| Heavy Atoms | 17 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 97720-49-5 |
|---|---|
| SMILES | CCCC12COC(OC1)(OC2)C3=CC=C(O3)Br |
| InChIKey | JEQSXDOYUWCFDZ-UHFFFAOYSA-N |
Product Overview
RefChem:264532 (CAS 97720-49-5), with molecular formula C12H15BrO4 and molecular weight 302.02 g/mol. IUPAC: 1-(5-bromofuran-2-yl)-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of RefChem:264532
Property Insights of RefChem:264532
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:264532. With a topological polar surface area (TPSA) of 40.8 Ų, RefChem:264532 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:264532 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 RefChem:264532?
The CAS number of RefChem:264532 is 97720-49-5.
What is the molecular formula of RefChem:264532?
The molecular formula of RefChem:264532 is C12H15BrO4.
What is the molecular weight of RefChem:264532?
The molecular weight of RefChem:264532 is 302.02 g/mol.
Where can I buy RefChem:264532?
You can request a quote for RefChem:264532 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:264532?
Yes, KEHONG BIO provides custom synthesis services for RefChem:264532 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.