BR-3,11-Dithia-tricyclo(11.2.2.1(5,9))octadeca-1(16),5,7,9(18),13(17),14-hexaene
TL;DR: BR-3,11-Dithia-tricyclo(11.2.2.1(5,9))octadeca-1(16),5,7,9(18),13(17),14-hexaene (CAS 51760-27-1) is a chemical compound with molecular formula C16H15BrS2 and molecular weight 349.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-bromo-3,11-dithiatricyclo[11.2.2.15,9]octadeca-1(16),5(18),6,8,13(17),14-hexaene
Also Known As: BR-3,11-DITHIA-TRICYCLO(11.2.2.1(5,9))OCTADECA-1(16),5,7,9(18),13(17),14-HEXAENE, 7-bromo-3,11-dithiatricyclo[11.2.2.1^{5,9}]octadeca-1(15),5,7,9(18),13,16-hexaene, 684-437-8, RefChem:570173
| Molecular Formula | C16H15BrS2 |
|---|---|
| Molecular Weight | 349.98 g/mol |
| LogP | 5.6293 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 349.97986 |
| Heavy Atoms | 19 |
| Complexity | 516.2117 |
Chemical Identifiers
| CAS Number | 51760-27-1 |
|---|---|
| SMILES | C1C2=CC=C(CSCC3=CC(=CC(=C3)CS1)Br)C=C2 |
Product Overview
BR-3,11-Dithia-tricyclo(11.2.2.1(5,9))octadeca-1(16),5,7,9(18),13(17),14-hexaene (CAS 51760-27-1), with molecular formula C16H15BrS2 and molecular weight 349.98 g/mol. IUPAC: 7-bromo-3,11-dithiatricyclo[11.2.2.15,9]octadeca-1(16),5(18),6,8,13(17),14-hexaene.
Chemical Property Profile of BR-3,11-Dithia-tricyclo(11.2.2.1(5,9))octadeca-1(16),5,7,9(18),13(17),14-hexaene
Property Insights of BR-3,11-Dithia-tricyclo(11.2.2.1(5,9))octadeca-1(16),5,7,9(18),13(17),14-hexaene
The XLogP value of 5.6293 indicates that BR-3,11-Dithia-tricyclo(11.2.2.1(5,9))octadeca-1(16),5,7,9(18),13(17),14-hexaene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, BR-3,11-Dithia-tricyclo(11.2.2.1(5,9))octadeca-1(16),5,7,9(18),13(17),14-hexaene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BR-3,11-Dithia-tricyclo(11.2.2.1(5,9))octadeca-1(16),5,7,9(18),13(17),14-hexaene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BR-3,11-Dithia-tricyclo(11.2.2.1(5,9))octadeca-1(16),5,7,9(18),13(17),14-hexaene?
The CAS number of BR-3,11-Dithia-tricyclo(11.2.2.1(5,9))octadeca-1(16),5,7,9(18),13(17),14-hexaene is 51760-27-1.
What is the molecular formula of BR-3,11-Dithia-tricyclo(11.2.2.1(5,9))octadeca-1(16),5,7,9(18),13(17),14-hexaene?
The molecular formula of BR-3,11-Dithia-tricyclo(11.2.2.1(5,9))octadeca-1(16),5,7,9(18),13(17),14-hexaene is C16H15BrS2.
What is the molecular weight of BR-3,11-Dithia-tricyclo(11.2.2.1(5,9))octadeca-1(16),5,7,9(18),13(17),14-hexaene?
The molecular weight of BR-3,11-Dithia-tricyclo(11.2.2.1(5,9))octadeca-1(16),5,7,9(18),13(17),14-hexaene is 349.98 g/mol.
Where can I buy BR-3,11-Dithia-tricyclo(11.2.2.1(5,9))octadeca-1(16),5,7,9(18),13(17),14-hexaene?
You can request a quote for BR-3,11-Dithia-tricyclo(11.2.2.1(5,9))octadeca-1(16),5,7,9(18),13(17),14-hexaene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BR-3,11-Dithia-tricyclo(11.2.2.1(5,9))octadeca-1(16),5,7,9(18),13(17),14-hexaene?
Yes, KEHONG BIO provides custom synthesis services for BR-3,11-Dithia-tricyclo(11.2.2.1(5,9))octadeca-1(16),5,7,9(18),13(17),14-hexaene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.