CID 35801
TL;DR: CID 35801 (CAS 13676-58-9) is a chemical compound with molecular formula C4H6Cl2 and molecular weight 123.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dichlorobut-1-ene
Also Known As: 1,4-Dichlorobutene, Butene, 1,4-dichloro-, 1-Butene, 1,4-dichloro-
| Molecular Formula | C4H6Cl2 |
|---|---|
| Molecular Weight | 123.98 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 123.98466 |
| Heavy Atoms | 6 |
| Complexity | 40.0 |
Chemical Identifiers
| CAS Number | 13676-58-9 |
|---|---|
| SMILES | C(CCl)C=CCl |
| InChIKey | SWSOIFQIPTXLOI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CID 35801 (CAS 13676-58-9), with molecular formula C4H6Cl2 and molecular weight 123.98 g/mol. IUPAC: 1,4-dichlorobut-1-ene.
Chemical Property Profile of CID 35801
Property Insights of CID 35801
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CID 35801. With a topological polar surface area (TPSA) of 0.0 Ų, CID 35801 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CID 35801 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 CID 35801?
The CAS number of CID 35801 is 13676-58-9.
What is the molecular formula of CID 35801?
The molecular formula of CID 35801 is C4H6Cl2.
What is the molecular weight of CID 35801?
The molecular weight of CID 35801 is 123.98 g/mol.
Where can I buy CID 35801?
You can request a quote for CID 35801 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CID 35801?
Yes, KEHONG BIO provides custom synthesis services for CID 35801 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.