1-氯-4-溴丁烷
TL;DR: 1-氯-4-溴丁烷 (CAS 6940-78-9) is a chemical compound with molecular formula C4H8BrCl and molecular weight 169.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-氯-4-溴丁烷
1-bromo-4-chlorobutane
Also Known As: 1-Bromo-4-chlorobutane, Butane, 1-bromo-4-chloro-, Tetramethylene chlorobromide, 4-Bromo-1-chlorobutane, 1-Chloro-4-bromobutane
| Molecular Formula | C4H8BrCl |
|---|---|
| Molecular Weight | 169.95 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 169.94978 |
| Heavy Atoms | 6 |
| Complexity | 23.0 |
Chemical Identifiers
| CAS Number | 6940-78-9 |
|---|---|
| SMILES | C(CCBr)CCl |
| InChIKey | NIDSRGCVYOEDFW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-氯-4-溴丁烷 (CAS 6940-78-9), with molecular formula C4H8BrCl and molecular weight 169.95 g/mol. IUPAC: 1-bromo-4-chlorobutane.
Chemical Property Profile of 1-氯-4-溴丁烷
Property Insights of 1-氯-4-溴丁烷
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-氯-4-溴丁烷. With a topological polar surface area (TPSA) of 0.0 Ų, 1-氯-4-溴丁烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-氯-4-溴丁烷 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-氯-4-溴丁烷?
The CAS number of 1-氯-4-溴丁烷 is 6940-78-9.
What is the molecular formula of 1-氯-4-溴丁烷?
The molecular formula of 1-氯-4-溴丁烷 is C4H8BrCl.
What is the molecular weight of 1-氯-4-溴丁烷?
The molecular weight of 1-氯-4-溴丁烷 is 169.95 g/mol.
Where can I buy 1-氯-4-溴丁烷?
You can request a quote for 1-氯-4-溴丁烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-氯-4-溴丁烷?
Yes, KEHONG BIO provides custom synthesis services for 1-氯-4-溴丁烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.