(3aS,5S,7aS)-3a,7a-dibromo-5-methyl-4,5,6,7-tetrahydro-1,3-benzodioxole
TL;DR: (3aS,5S,7aS)-3a,7a-dibromo-5-methyl-4,5,6,7-tetrahydro-1,3-benzodioxole (CAS 88182-31-4) is a chemical compound with molecular formula C8H12Br2O2 and molecular weight 297.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aS,5S,7aS)-3a,7a-dibromo-5-methyl-4,5,6,7-tetrahydro-1,3-benzodioxole
Also Known As: 3a,7a-Dibromo-3a,4,7,7a-tetrahydro-5-methyl-1,3-isobenzofurandione, 1,3-Isobenzofurandione, 3a,7a-dibromo-3a,4,7,7a-tetrahydro-5-methyl-, (3aS,5S,7aS)-3a,7a-dibromo-5-methyl-4,5,6,7-tetrahydro-1,3-benzodioxole
| Molecular Formula | C8H12Br2O2 |
|---|---|
| Molecular Weight | 297.92 g/mol |
| LogP | 2.9931 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 297.9204 |
| Heavy Atoms | 12 |
| Complexity | 199.49689 |
Chemical Identifiers
| CAS Number | 88182-31-4 |
|---|---|
| SMILES | C[C@H]1CC[C@@]2([C@@](C1)(OCO2)Br)Br |
Product Overview
(3aS,5S,7aS)-3a,7a-dibromo-5-methyl-4,5,6,7-tetrahydro-1,3-benzodioxole (CAS 88182-31-4), with molecular formula C8H12Br2O2 and molecular weight 297.92 g/mol. IUPAC: (3aS,5S,7aS)-3a,7a-dibromo-5-methyl-4,5,6,7-tetrahydro-1,3-benzodioxole.
Chemical Property Profile of (3aS,5S,7aS)-3a,7a-dibromo-5-methyl-4,5,6,7-tetrahydro-1,3-benzodioxole
Property Insights of (3aS,5S,7aS)-3a,7a-dibromo-5-methyl-4,5,6,7-tetrahydro-1,3-benzodioxole
The XLogP value of 2.9931 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3aS,5S,7aS)-3a,7a-dibromo-5-methyl-4,5,6,7-tetrahydro-1,3-benzodioxole. With a topological polar surface area (TPSA) of 18.46 Ų, (3aS,5S,7aS)-3a,7a-dibromo-5-methyl-4,5,6,7-tetrahydro-1,3-benzodioxole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3aS,5S,7aS)-3a,7a-dibromo-5-methyl-4,5,6,7-tetrahydro-1,3-benzodioxole 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 (3aS,5S,7aS)-3a,7a-dibromo-5-methyl-4,5,6,7-tetrahydro-1,3-benzodioxole?
The CAS number of (3aS,5S,7aS)-3a,7a-dibromo-5-methyl-4,5,6,7-tetrahydro-1,3-benzodioxole is 88182-31-4.
What is the molecular formula of (3aS,5S,7aS)-3a,7a-dibromo-5-methyl-4,5,6,7-tetrahydro-1,3-benzodioxole?
The molecular formula of (3aS,5S,7aS)-3a,7a-dibromo-5-methyl-4,5,6,7-tetrahydro-1,3-benzodioxole is C8H12Br2O2.
What is the molecular weight of (3aS,5S,7aS)-3a,7a-dibromo-5-methyl-4,5,6,7-tetrahydro-1,3-benzodioxole?
The molecular weight of (3aS,5S,7aS)-3a,7a-dibromo-5-methyl-4,5,6,7-tetrahydro-1,3-benzodioxole is 297.92 g/mol.
Where can I buy (3aS,5S,7aS)-3a,7a-dibromo-5-methyl-4,5,6,7-tetrahydro-1,3-benzodioxole?
You can request a quote for (3aS,5S,7aS)-3a,7a-dibromo-5-methyl-4,5,6,7-tetrahydro-1,3-benzodioxole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3aS,5S,7aS)-3a,7a-dibromo-5-methyl-4,5,6,7-tetrahydro-1,3-benzodioxole?
Yes, KEHONG BIO provides custom synthesis services for (3aS,5S,7aS)-3a,7a-dibromo-5-methyl-4,5,6,7-tetrahydro-1,3-benzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.