1,4-Benzodioxin, 6,7-dichloro-2-methyl-
TL;DR: 1,4-Benzodioxin, 6,7-dichloro-2-methyl- (CAS 100310-85-8) is a chemical compound with molecular formula C9H6Cl2O2 and molecular weight 215.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dichloro-3-methyl-1,4-benzodioxine
Also Known As: 2-Methyl-6,7-dichloro-1,4-benzodioxin, 6,7-Dichloro-2-methyl-1,4-benzodioxin, 1,4-BENZODIOXIN, 6,7-DICHLORO-2-METHYL-, 6,7-dichloro-2-methyl-1,4-benzodioxine, 6,7-dichloro-3-methyl-1,4-benzodioxine
| Molecular Formula | C9H6Cl2O2 |
|---|---|
| Molecular Weight | 215.97 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 215.97449 |
| Heavy Atoms | 13 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 100310-85-8 |
|---|---|
| SMILES | CC1=COC2=CC(=C(C=C2O1)Cl)Cl |
| InChIKey | YKJSLNHOYZCUHS-UHFFFAOYSA-N |
Product Overview
1,4-Benzodioxin, 6,7-dichloro-2-methyl- (CAS 100310-85-8), with molecular formula C9H6Cl2O2 and molecular weight 215.97 g/mol. IUPAC: 6,7-dichloro-3-methyl-1,4-benzodioxine.
Chemical Property Profile of 1,4-Benzodioxin, 6,7-dichloro-2-methyl-
Property Insights of 1,4-Benzodioxin, 6,7-dichloro-2-methyl-
The XLogP value of 3.3 indicates that 1,4-Benzodioxin, 6,7-dichloro-2-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 1,4-Benzodioxin, 6,7-dichloro-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzodioxin, 6,7-dichloro-2-methyl- 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 1,4-Benzodioxin, 6,7-dichloro-2-methyl-?
The CAS number of 1,4-Benzodioxin, 6,7-dichloro-2-methyl- is 100310-85-8.
What is the molecular formula of 1,4-Benzodioxin, 6,7-dichloro-2-methyl-?
The molecular formula of 1,4-Benzodioxin, 6,7-dichloro-2-methyl- is C9H6Cl2O2.
What is the molecular weight of 1,4-Benzodioxin, 6,7-dichloro-2-methyl-?
The molecular weight of 1,4-Benzodioxin, 6,7-dichloro-2-methyl- is 215.97 g/mol.
Where can I buy 1,4-Benzodioxin, 6,7-dichloro-2-methyl-?
You can request a quote for 1,4-Benzodioxin, 6,7-dichloro-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzodioxin, 6,7-dichloro-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzodioxin, 6,7-dichloro-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.