1-溴-3,5-二甲苯
TL;DR: 1-溴-3,5-二甲苯 (CAS 40032-73-3) is a chemical compound with molecular formula CC1=CC(=CC(=C1)Br)C and molecular weight 183.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-溴-3,5-二甲苯
1-bromo-3,5-dimethylbenzene
Also Known As: 5-Bromo-m-xylene, 1-Bromo-3,5-dimethylbenzene, 3,5-Dimethylbromobenzene, Benzene, 1-bromo-3,5-dimethyl-, m-Xylene, 5-bromo-
| Molecular Formula | CC1=CC(=CC(=C1)Br)C |
|---|---|
| Molecular Weight | 183.99 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 183.98875 |
| Heavy Atoms | 9 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 40032-73-3 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)Br)C |
| InChIKey | LMFRTSBQRLSJHC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-溴-3,5-二甲苯 (CAS 40032-73-3), with molecular formula CC1=CC(=CC(=C1)Br)C and molecular weight 183.99 g/mol. IUPAC: 1-bromo-3,5-dimethylbenzene.
Chemical Property Profile of 1-溴-3,5-二甲苯
Property Insights of 1-溴-3,5-二甲苯
The XLogP value of 3.4 indicates that 1-溴-3,5-二甲苯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-溴-3,5-二甲苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-溴-3,5-二甲苯 has 0 hydrogen bond donor(s) and 0 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-溴-3,5-二甲苯?
The CAS number of 1-溴-3,5-二甲苯 is 40032-73-3.
What is the molecular formula of 1-溴-3,5-二甲苯?
The molecular formula of 1-溴-3,5-二甲苯 is CC1=CC(=CC(=C1)Br)C.
What is the molecular weight of 1-溴-3,5-二甲苯?
The molecular weight of 1-溴-3,5-二甲苯 is 183.99 g/mol.
Where can I buy 1-溴-3,5-二甲苯?
You can request a quote for 1-溴-3,5-二甲苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-溴-3,5-二甲苯?
Yes, KEHONG BIO provides custom synthesis services for 1-溴-3,5-二甲苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.