8-Chloro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde
TL;DR: 8-Chloro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde (CAS 851398-61-3) is a chemical compound with molecular formula C9H7ClO3 and molecular weight 198.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde
Also Known As: 8-chloro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde, 8-Chloro-2,3-dihydrobenzo[b][1,4]dioxine-6-carbaldehyde, 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde, 8-Chloro-2,3-dihydro-benzo[1,4]dioxine-6-carbaldehyde, 1,4-Benzodioxin-6-carboxaldehyde, 8-chloro-2,3-dihydro-
| Molecular Formula | C9H7ClO3 |
|---|---|
| Molecular Weight | 198.01 g/mol |
| LogP | 1.9237 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.00838 |
| Heavy Atoms | 13 |
| Complexity | 348.9582 |
Chemical Identifiers
| CAS Number | 851398-61-3 |
|---|---|
| SMILES | C1COC2=C(O1)C=C(C=C2Cl)C=O |
Product Overview
8-Chloro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde (CAS 851398-61-3), with molecular formula C9H7ClO3 and molecular weight 198.01 g/mol. IUPAC: 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde.
Chemical Property Profile of 8-Chloro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde
Property Insights of 8-Chloro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde
The XLogP value of 1.9237 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Chloro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde. With a topological polar surface area (TPSA) of 35.53 Ų, 8-Chloro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Chloro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde 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 8-Chloro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde?
The CAS number of 8-Chloro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde is 851398-61-3.
What is the molecular formula of 8-Chloro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde?
The molecular formula of 8-Chloro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde is C9H7ClO3.
What is the molecular weight of 8-Chloro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde?
The molecular weight of 8-Chloro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde is 198.01 g/mol.
Where can I buy 8-Chloro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde?
You can request a quote for 8-Chloro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Chloro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 8-Chloro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.