2-bromo-4H,5H,6H,7H,8H-cyclohepta(d)(1,3)thiazole
TL;DR: 2-bromo-4H,5H,6H,7H,8H-cyclohepta(d)(1,3)thiazole (CAS 1027247-69-3) is a chemical compound with molecular formula C8H10BrNS and molecular weight 230.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole
Also Known As: ELLANOVALABS B2-0509, starbld0039924, 2-bromo-4H,5H,6H,7H,8H-cyclohepta[d][1,3]thiazole, 2-Bromo-5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazole, 2-bromo-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole
| Molecular Formula | C8H10BrNS |
|---|---|
| Molecular Weight | 230.97 g/mol |
| LogP | 3.1745 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 230.97173 |
| Heavy Atoms | 11 |
| Complexity | 233.09477 |
Chemical Identifiers
| CAS Number | 1027247-69-3 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=N2)Br |
Product Overview
2-bromo-4H,5H,6H,7H,8H-cyclohepta(d)(1,3)thiazole (CAS 1027247-69-3), with molecular formula C8H10BrNS and molecular weight 230.97 g/mol. IUPAC: 2-bromo-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole.
Chemical Property Profile of 2-bromo-4H,5H,6H,7H,8H-cyclohepta(d)(1,3)thiazole
Property Insights of 2-bromo-4H,5H,6H,7H,8H-cyclohepta(d)(1,3)thiazole
The XLogP value of 3.1745 indicates that 2-bromo-4H,5H,6H,7H,8H-cyclohepta(d)(1,3)thiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, 2-bromo-4H,5H,6H,7H,8H-cyclohepta(d)(1,3)thiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-bromo-4H,5H,6H,7H,8H-cyclohepta(d)(1,3)thiazole 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 2-bromo-4H,5H,6H,7H,8H-cyclohepta(d)(1,3)thiazole?
The CAS number of 2-bromo-4H,5H,6H,7H,8H-cyclohepta(d)(1,3)thiazole is 1027247-69-3.
What is the molecular formula of 2-bromo-4H,5H,6H,7H,8H-cyclohepta(d)(1,3)thiazole?
The molecular formula of 2-bromo-4H,5H,6H,7H,8H-cyclohepta(d)(1,3)thiazole is C8H10BrNS.
What is the molecular weight of 2-bromo-4H,5H,6H,7H,8H-cyclohepta(d)(1,3)thiazole?
The molecular weight of 2-bromo-4H,5H,6H,7H,8H-cyclohepta(d)(1,3)thiazole is 230.97 g/mol.
Where can I buy 2-bromo-4H,5H,6H,7H,8H-cyclohepta(d)(1,3)thiazole?
You can request a quote for 2-bromo-4H,5H,6H,7H,8H-cyclohepta(d)(1,3)thiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-bromo-4H,5H,6H,7H,8H-cyclohepta(d)(1,3)thiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-bromo-4H,5H,6H,7H,8H-cyclohepta(d)(1,3)thiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.