![[3aS-(3aalpha,4alpha,5beta,7aalpha)]-5-Azido-7-bromo-3a,4,5,7a-tetrahydro-2,2-dimethyl-1,3-benzodioxol-4-ol structure](/static/products/1719/171916-75-9.webp)
[3aS-(3aalpha,4alpha,5beta,7aalpha)]-5-Azido-7-bromo-3a,4,5,7a-tetrahydro-2,2-dimethyl-1,3-benzodioxol-4-ol
TL;DR: [3aS-(3aalpha,4alpha,5beta,7aalpha)]-5-Azido-7-bromo-3a,4,5,7a-tetrahydro-2,2-dimethyl-1,3-benzodioxol-4-ol (CAS 171916-75-9) is a chemical compound with molecular formula C9H12BrN3O3 and molecular weight 289.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-azido-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol
Also Known As: [3aS-(3aalpha,4alpha,5beta,7aalpha)]-5-Azido-7-bromo-3a,4,5,7a-tetrahydro-2,2-dimethyl-1,3-benzodioxol-4-ol|5-azido-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol|5-azido-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydrobenzo[1,3]dioxol-4-ol|5-azido-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-2H-1,3-benzodioxol-4-ol
| Molecular Formula | C9H12BrN3O3 |
|---|---|
| Molecular Weight | 289.01 g/mol |
| LogP | 1.8387 |
| Topological Polar Surface Area | 87.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 289.0062 |
| Heavy Atoms | 16 |
| Complexity | 378.1955 |
Chemical Identifiers
| CAS Number | 171916-75-9 |
|---|---|
| SMILES | CC1(OC2C(C(C=C(C2O1)Br)N=[N+]=[N-])O)C |
Product Overview
[3aS-(3aalpha,4alpha,5beta,7aalpha)]-5-Azido-7-bromo-3a,4,5,7a-tetrahydro-2,2-dimethyl-1,3-benzodioxol-4-ol (CAS 171916-75-9), with molecular formula C9H12BrN3O3 and molecular weight 289.01 g/mol. IUPAC: 5-azido-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol.
Chemical Property Profile of [3aS-(3aalpha,4alpha,5beta,7aalpha)]-5-Azido-7-bromo-3a,4,5,7a-tetrahydro-2,2-dimethyl-1,3-benzodioxol-4-ol
Property Insights of [3aS-(3aalpha,4alpha,5beta,7aalpha)]-5-Azido-7-bromo-3a,4,5,7a-tetrahydro-2,2-dimethyl-1,3-benzodioxol-4-ol
The XLogP value of 1.8387 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3aS-(3aalpha,4alpha,5beta,7aalpha)]-5-Azido-7-bromo-3a,4,5,7a-tetrahydro-2,2-dimethyl-1,3-benzodioxol-4-ol. The TPSA of 87.45 Ų falls within the moderate polarity range, balancing permeability and solubility for [3aS-(3aalpha,4alpha,5beta,7aalpha)]-5-Azido-7-bromo-3a,4,5,7a-tetrahydro-2,2-dimethyl-1,3-benzodioxol-4-ol. Following Lipinski's Rule of Five, [3aS-(3aalpha,4alpha,5beta,7aalpha)]-5-Azido-7-bromo-3a,4,5,7a-tetrahydro-2,2-dimethyl-1,3-benzodioxol-4-ol has 1 hydrogen bond donor(s) and 4 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-(3aalpha,4alpha,5beta,7aalpha)]-5-Azido-7-bromo-3a,4,5,7a-tetrahydro-2,2-dimethyl-1,3-benzodioxol-4-ol?
The CAS number of [3aS-(3aalpha,4alpha,5beta,7aalpha)]-5-Azido-7-bromo-3a,4,5,7a-tetrahydro-2,2-dimethyl-1,3-benzodioxol-4-ol is 171916-75-9.
What is the molecular formula of [3aS-(3aalpha,4alpha,5beta,7aalpha)]-5-Azido-7-bromo-3a,4,5,7a-tetrahydro-2,2-dimethyl-1,3-benzodioxol-4-ol?
The molecular formula of [3aS-(3aalpha,4alpha,5beta,7aalpha)]-5-Azido-7-bromo-3a,4,5,7a-tetrahydro-2,2-dimethyl-1,3-benzodioxol-4-ol is C9H12BrN3O3.
What is the molecular weight of [3aS-(3aalpha,4alpha,5beta,7aalpha)]-5-Azido-7-bromo-3a,4,5,7a-tetrahydro-2,2-dimethyl-1,3-benzodioxol-4-ol?
The molecular weight of [3aS-(3aalpha,4alpha,5beta,7aalpha)]-5-Azido-7-bromo-3a,4,5,7a-tetrahydro-2,2-dimethyl-1,3-benzodioxol-4-ol is 289.01 g/mol.
Where can I buy [3aS-(3aalpha,4alpha,5beta,7aalpha)]-5-Azido-7-bromo-3a,4,5,7a-tetrahydro-2,2-dimethyl-1,3-benzodioxol-4-ol?
You can request a quote for [3aS-(3aalpha,4alpha,5beta,7aalpha)]-5-Azido-7-bromo-3a,4,5,7a-tetrahydro-2,2-dimethyl-1,3-benzodioxol-4-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3aS-(3aalpha,4alpha,5beta,7aalpha)]-5-Azido-7-bromo-3a,4,5,7a-tetrahydro-2,2-dimethyl-1,3-benzodioxol-4-ol?
Yes, KEHONG BIO provides custom synthesis services for [3aS-(3aalpha,4alpha,5beta,7aalpha)]-5-Azido-7-bromo-3a,4,5,7a-tetrahydro-2,2-dimethyl-1,3-benzodioxol-4-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.