1,4-二氯丁烷
TL;DR: 1,4-二氯丁烷 (CAS 110-56-5) is a chemical compound with molecular formula C4H8Cl2 and molecular weight 126.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-二氯丁烷
1,4-dichlorobutane
Also Known As: 1,4-DICHLOROBUTANE, Butane, 1,4-dichloro-, Tetramethylene chloride, Tetramethylene dichloride, Butane,4-dichloro-
| Molecular Formula | C4H8Cl2 |
|---|---|
| Molecular Weight | 126.00 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 126.000305 |
| Heavy Atoms | 6 |
| Complexity | 17.0 |
| Melting Point | -37.3 °C |
| Boiling Point | 153.9 °C at 760 mmHg |
| Density | 1.1408 |
| Flash Point | 40.0 °C |
| Vapor Pressure | 4 mmHg at 20.0 °C |
Chemical Identifiers
| CAS Number | 110-56-5 |
|---|---|
| SMILES | C(CCCl)CCl |
| InChIKey | KJDRSWPQXHESDQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-二氯丁烷 (CAS 110-56-5), with molecular formula C4H8Cl2 and molecular weight 126.00 g/mol. IUPAC: 1,4-dichlorobutane.
Chemical Property Profile of 1,4-二氯丁烷
Property Insights of 1,4-二氯丁烷
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-二氯丁烷. With a topological polar surface area (TPSA) of 0.0 Ų, 1,4-二氯丁烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-二氯丁烷 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 1,4-二氯丁烷?
The CAS number of 1,4-二氯丁烷 is 110-56-5.
What is the molecular formula of 1,4-二氯丁烷?
The molecular formula of 1,4-二氯丁烷 is C4H8Cl2.
What is the molecular weight of 1,4-二氯丁烷?
The molecular weight of 1,4-二氯丁烷 is 126.00 g/mol.
Where can I buy 1,4-二氯丁烷?
You can request a quote for 1,4-二氯丁烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-二氯丁烷?
Yes, KEHONG BIO provides custom synthesis services for 1,4-二氯丁烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.