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4-碘苯并[d][1,3]二氧杂环戊烯-5-甲醛
TL;DR: 4-碘苯并[d][1,3]二氧杂环戊烯-5-甲醛 (CAS 58343-45-6) is a chemical compound with molecular formula C8H5IO3 and molecular weight 275.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-碘苯并[d][1,3]二氧杂环戊烯-5-甲醛
4-iodo-1,3-benzodioxole-5-carbaldehyde
Also Known As: 4-Iodobenzo[d][1,3]dioxole-5-carbaldehyde, 4-Iodo-1,3-benzodioxole-5-carbaldehyde, 1,3-Benzodioxole-5-carboxaldehyde, 4-iodo-, NCI60_016417, J1.456.134J
| Molecular Formula | C8H5IO3 |
|---|---|
| Molecular Weight | 275.93 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 275.92834 |
| Heavy Atoms | 12 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 58343-45-6 |
|---|---|
| SMILES | C1OC2=C(O1)C(=C(C=C2)C=O)I |
| InChIKey | ARKKTWBAEZXJQO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-碘苯并[d][1,3]二氧杂环戊烯-5-甲醛 (CAS 58343-45-6), with molecular formula C8H5IO3 and molecular weight 275.93 g/mol. IUPAC: 4-iodo-1,3-benzodioxole-5-carbaldehyde.
Chemical Property Profile of 4-碘苯并[d][1,3]二氧杂环戊烯-5-甲醛
Property Insights of 4-碘苯并[d][1,3]二氧杂环戊烯-5-甲醛
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-碘苯并[d][1,3]二氧杂环戊烯-5-甲醛. With a topological polar surface area (TPSA) of 35.5 Ų, 4-碘苯并[d][1,3]二氧杂环戊烯-5-甲醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-碘苯并[d][1,3]二氧杂环戊烯-5-甲醛 has 0 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 4-碘苯并[d][1,3]二氧杂环戊烯-5-甲醛?
The CAS number of 4-碘苯并[d][1,3]二氧杂环戊烯-5-甲醛 is 58343-45-6.
What is the molecular formula of 4-碘苯并[d][1,3]二氧杂环戊烯-5-甲醛?
The molecular formula of 4-碘苯并[d][1,3]二氧杂环戊烯-5-甲醛 is C8H5IO3.
What is the molecular weight of 4-碘苯并[d][1,3]二氧杂环戊烯-5-甲醛?
The molecular weight of 4-碘苯并[d][1,3]二氧杂环戊烯-5-甲醛 is 275.93 g/mol.
Where can I buy 4-碘苯并[d][1,3]二氧杂环戊烯-5-甲醛?
You can request a quote for 4-碘苯并[d][1,3]二氧杂环戊烯-5-甲醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-碘苯并[d][1,3]二氧杂环戊烯-5-甲醛?
Yes, KEHONG BIO provides custom synthesis services for 4-碘苯并[d][1,3]二氧杂环戊烯-5-甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.