8-(1-Bromopropylidene)-3-chloro-2-pent-2-en-4-ynyl-2,3,4,7-tetrahydrooxocine
TL;DR: 8-(1-Bromopropylidene)-3-chloro-2-pent-2-en-4-ynyl-2,3,4,7-tetrahydrooxocine (CAS 53472-38-1) is a chemical compound with molecular formula C15H18BrClO and molecular weight 328.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(1-bromopropylidene)-3-chloro-2-pent-2-en-4-ynyl-2,3,4,7-tetrahydrooxocine
Also Known As: RHODOPHYTIN, 8-(1-bromopropylidene)-3-chloro-2-pent-2-en-4-ynyl-2,3,4,7-tetrahydrooxocine
| Molecular Formula | C15H18BrClO |
|---|---|
| Molecular Weight | 328.02 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.02295 |
| Heavy Atoms | 18 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 53472-38-1 |
|---|---|
| SMILES | CCC(=C1CC=CCC(C(O1)CC=CC#C)Cl)Br |
| InChIKey | FMCNCJZDZVGTHG-UHFFFAOYSA-N |
Product Overview
8-(1-Bromopropylidene)-3-chloro-2-pent-2-en-4-ynyl-2,3,4,7-tetrahydrooxocine (CAS 53472-38-1), with molecular formula C15H18BrClO and molecular weight 328.02 g/mol. IUPAC: 8-(1-bromopropylidene)-3-chloro-2-pent-2-en-4-ynyl-2,3,4,7-tetrahydrooxocine.
Chemical Property Profile of 8-(1-Bromopropylidene)-3-chloro-2-pent-2-en-4-ynyl-2,3,4,7-tetrahydrooxocine
Property Insights of 8-(1-Bromopropylidene)-3-chloro-2-pent-2-en-4-ynyl-2,3,4,7-tetrahydrooxocine
The XLogP value of 5.0 indicates that 8-(1-Bromopropylidene)-3-chloro-2-pent-2-en-4-ynyl-2,3,4,7-tetrahydrooxocine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 8-(1-Bromopropylidene)-3-chloro-2-pent-2-en-4-ynyl-2,3,4,7-tetrahydrooxocine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-(1-Bromopropylidene)-3-chloro-2-pent-2-en-4-ynyl-2,3,4,7-tetrahydrooxocine has 0 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 8-(1-Bromopropylidene)-3-chloro-2-pent-2-en-4-ynyl-2,3,4,7-tetrahydrooxocine?
The CAS number of 8-(1-Bromopropylidene)-3-chloro-2-pent-2-en-4-ynyl-2,3,4,7-tetrahydrooxocine is 53472-38-1.
What is the molecular formula of 8-(1-Bromopropylidene)-3-chloro-2-pent-2-en-4-ynyl-2,3,4,7-tetrahydrooxocine?
The molecular formula of 8-(1-Bromopropylidene)-3-chloro-2-pent-2-en-4-ynyl-2,3,4,7-tetrahydrooxocine is C15H18BrClO.
What is the molecular weight of 8-(1-Bromopropylidene)-3-chloro-2-pent-2-en-4-ynyl-2,3,4,7-tetrahydrooxocine?
The molecular weight of 8-(1-Bromopropylidene)-3-chloro-2-pent-2-en-4-ynyl-2,3,4,7-tetrahydrooxocine is 328.02 g/mol.
Where can I buy 8-(1-Bromopropylidene)-3-chloro-2-pent-2-en-4-ynyl-2,3,4,7-tetrahydrooxocine?
You can request a quote for 8-(1-Bromopropylidene)-3-chloro-2-pent-2-en-4-ynyl-2,3,4,7-tetrahydrooxocine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(1-Bromopropylidene)-3-chloro-2-pent-2-en-4-ynyl-2,3,4,7-tetrahydrooxocine?
Yes, KEHONG BIO provides custom synthesis services for 8-(1-Bromopropylidene)-3-chloro-2-pent-2-en-4-ynyl-2,3,4,7-tetrahydrooxocine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.