![1-Bromo-7-(phenylsulfonyl)tricyclo[4.1.0.0(2,7)]heptane structure](/static/products/170/170880-53-2.png)
1-Bromo-7-(phenylsulfonyl)tricyclo[4.1.0.0(2,7)]heptane
TL;DR: 1-Bromo-7-(phenylsulfonyl)tricyclo[4.1.0.0(2,7)]heptane (CAS 170880-53-2) is a chemical compound with molecular formula C13H13BrO2S and molecular weight 311.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonyl)-7-bromotricyclo[4.1.0.02,7]heptane
Also Known As: 1-bromo-7-(phenylsulfonyl)tricyclo[4.1.0.0(2,7)]heptane
| Molecular Formula | C13H13BrO2S |
|---|---|
| Molecular Weight | 311.98 g/mol |
| LogP | 2.7763 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.98196 |
| Heavy Atoms | 17 |
| Complexity | 581.1053 |
Chemical Identifiers
| CAS Number | 170880-53-2 |
|---|---|
| SMILES | C1CC2C3(C2(C3C1)Br)S(=O)(=O)C4=CC=CC=C4 |
Product Overview
1-Bromo-7-(phenylsulfonyl)tricyclo[4.1.0.0(2,7)]heptane (CAS 170880-53-2), with molecular formula C13H13BrO2S and molecular weight 311.98 g/mol. IUPAC: 1-(benzenesulfonyl)-7-bromotricyclo[4.1.0.02,7]heptane.
Chemical Property Profile of 1-Bromo-7-(phenylsulfonyl)tricyclo[4.1.0.0(2,7)]heptane
Property Insights of 1-Bromo-7-(phenylsulfonyl)tricyclo[4.1.0.0(2,7)]heptane
The XLogP value of 2.7763 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Bromo-7-(phenylsulfonyl)tricyclo[4.1.0.0(2,7)]heptane. With a topological polar surface area (TPSA) of 34.14 Ų, 1-Bromo-7-(phenylsulfonyl)tricyclo[4.1.0.0(2,7)]heptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-7-(phenylsulfonyl)tricyclo[4.1.0.0(2,7)]heptane 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-Bromo-7-(phenylsulfonyl)tricyclo[4.1.0.0(2,7)]heptane?
The CAS number of 1-Bromo-7-(phenylsulfonyl)tricyclo[4.1.0.0(2,7)]heptane is 170880-53-2.
What is the molecular formula of 1-Bromo-7-(phenylsulfonyl)tricyclo[4.1.0.0(2,7)]heptane?
The molecular formula of 1-Bromo-7-(phenylsulfonyl)tricyclo[4.1.0.0(2,7)]heptane is C13H13BrO2S.
What is the molecular weight of 1-Bromo-7-(phenylsulfonyl)tricyclo[4.1.0.0(2,7)]heptane?
The molecular weight of 1-Bromo-7-(phenylsulfonyl)tricyclo[4.1.0.0(2,7)]heptane is 311.98 g/mol.
Where can I buy 1-Bromo-7-(phenylsulfonyl)tricyclo[4.1.0.0(2,7)]heptane?
You can request a quote for 1-Bromo-7-(phenylsulfonyl)tricyclo[4.1.0.0(2,7)]heptane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-7-(phenylsulfonyl)tricyclo[4.1.0.0(2,7)]heptane?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-7-(phenylsulfonyl)tricyclo[4.1.0.0(2,7)]heptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.