1,3-苯并二噁茂
TL;DR: 1,3-苯并二噁茂 (CAS 274-09-9) is a chemical compound with molecular formula C7H6O2 and molecular weight 122.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-苯并二噁茂
1,3-benzodioxole
Also Known As: 1,3-BENZODIOXOLE, 1,2-Methylenedioxybenzene, Benzo[d][1,3]dioxole, Benzodioxole, 1,3-Dioxaindan
| Molecular Formula | C7H6O2 |
|---|---|
| Molecular Weight | 122.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 122.03678 |
| Heavy Atoms | 9 |
| Complexity | 91.0 |
| Vapor Pressure | 0.57 [mmHg] |
Chemical Identifiers
| CAS Number | 274-09-9 |
|---|---|
| SMILES | C1OC2=CC=CC=C2O1 |
| InChIKey | FTNJQNQLEGKTGD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-苯并二噁茂 (CAS 274-09-9), with molecular formula C7H6O2 and molecular weight 122.04 g/mol. IUPAC: 1,3-benzodioxole.
Chemical Property Profile of 1,3-苯并二噁茂
Property Insights of 1,3-苯并二噁茂
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-苯并二噁茂. With a topological polar surface area (TPSA) of 18.5 Ų, 1,3-苯并二噁茂 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-苯并二噁茂 has 0 hydrogen bond donor(s) and 2 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 1,3-苯并二噁茂?
The CAS number of 1,3-苯并二噁茂 is 274-09-9.
What is the molecular formula of 1,3-苯并二噁茂?
The molecular formula of 1,3-苯并二噁茂 is C7H6O2.
What is the molecular weight of 1,3-苯并二噁茂?
The molecular weight of 1,3-苯并二噁茂 is 122.04 g/mol.
Where can I buy 1,3-苯并二噁茂?
You can request a quote for 1,3-苯并二噁茂 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-苯并二噁茂?
Yes, KEHONG BIO provides custom synthesis services for 1,3-苯并二噁茂 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.