2,3-Dihydro-1,4-benzodioxine-5-carbonyl chloride
TL;DR: 2,3-Dihydro-1,4-benzodioxine-5-carbonyl chloride (CAS 38871-41-9) 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.
2,3-dihydro-1,4-benzodioxine-5-carbonyl chloride
Also Known As: 2,3-dihydro-1,4-benzodioxine-5-carbonyl chloride, 2,3-Dihydrobenzo[b][1,4]dioxine-5-carbonyl chloride, 2-cyano-n-m-tolyl-acetamide, 2,3-Dihydrobenzo[1,4]dioxine-5-carbonyl chloride, 1,4-Benzodioxan-5-carbonyl chloride
| Molecular Formula | C9H7ClO3 |
|---|---|
| Molecular Weight | 198.01 g/mol |
| LogP | 1.8368 |
| 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 | 348.7131 |
Chemical Identifiers
| CAS Number | 38871-41-9 |
|---|---|
| SMILES | C1COC2=C(C=CC=C2O1)C(=O)Cl |
Product Overview
2,3-Dihydro-1,4-benzodioxine-5-carbonyl chloride (CAS 38871-41-9), with molecular formula C9H7ClO3 and molecular weight 198.01 g/mol. IUPAC: 2,3-dihydro-1,4-benzodioxine-5-carbonyl chloride.
Chemical Property Profile of 2,3-Dihydro-1,4-benzodioxine-5-carbonyl chloride
Property Insights of 2,3-Dihydro-1,4-benzodioxine-5-carbonyl chloride
The XLogP value of 1.8368 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dihydro-1,4-benzodioxine-5-carbonyl chloride. With a topological polar surface area (TPSA) of 35.53 Ų, 2,3-Dihydro-1,4-benzodioxine-5-carbonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dihydro-1,4-benzodioxine-5-carbonyl chloride 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 2,3-Dihydro-1,4-benzodioxine-5-carbonyl chloride?
The CAS number of 2,3-Dihydro-1,4-benzodioxine-5-carbonyl chloride is 38871-41-9.
What is the molecular formula of 2,3-Dihydro-1,4-benzodioxine-5-carbonyl chloride?
The molecular formula of 2,3-Dihydro-1,4-benzodioxine-5-carbonyl chloride is C9H7ClO3.
What is the molecular weight of 2,3-Dihydro-1,4-benzodioxine-5-carbonyl chloride?
The molecular weight of 2,3-Dihydro-1,4-benzodioxine-5-carbonyl chloride is 198.01 g/mol.
Where can I buy 2,3-Dihydro-1,4-benzodioxine-5-carbonyl chloride?
You can request a quote for 2,3-Dihydro-1,4-benzodioxine-5-carbonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dihydro-1,4-benzodioxine-5-carbonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dihydro-1,4-benzodioxine-5-carbonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.