Butane-1,3-diyl bis(chloroacetate)
TL;DR: Butane-1,3-diyl bis(chloroacetate) (CAS 5446-77-5) is a chemical compound with molecular formula C8H12Cl2O4 and molecular weight 242.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloroacetyl)oxybutyl 2-chloroacetate
Also Known As: Growth-modulating peptide, butane-1,3-diyl bis(chloroacetate), 3-(2-chloroacetyl)oxybutyl 2-chloroacetate, Bis(chloroacetic acid)1,3-butanediyl, 4-[(2-CHLOROACETYL)OXY]BUTAN-2-YL 2-CHLOROACETATE
| Molecular Formula | C8H12Cl2O4 |
|---|---|
| Molecular Weight | 242.01 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 242.01126 |
| Heavy Atoms | 14 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 5446-77-5 |
|---|---|
| SMILES | CC(CCOC(=O)CCl)OC(=O)CCl |
| InChIKey | GSFAEEANSDJOGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butane-1,3-diyl bis(chloroacetate) (CAS 5446-77-5), with molecular formula C8H12Cl2O4 and molecular weight 242.01 g/mol. IUPAC: 3-(2-chloroacetyl)oxybutyl 2-chloroacetate.
Chemical Property Profile of Butane-1,3-diyl bis(chloroacetate)
Property Insights of Butane-1,3-diyl bis(chloroacetate)
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butane-1,3-diyl bis(chloroacetate). With a topological polar surface area (TPSA) of 52.6 Ų, Butane-1,3-diyl bis(chloroacetate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butane-1,3-diyl bis(chloroacetate) has 0 hydrogen bond donor(s) and 4 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 Butane-1,3-diyl bis(chloroacetate)?
The CAS number of Butane-1,3-diyl bis(chloroacetate) is 5446-77-5.
What is the molecular formula of Butane-1,3-diyl bis(chloroacetate)?
The molecular formula of Butane-1,3-diyl bis(chloroacetate) is C8H12Cl2O4.
What is the molecular weight of Butane-1,3-diyl bis(chloroacetate)?
The molecular weight of Butane-1,3-diyl bis(chloroacetate) is 242.01 g/mol.
Where can I buy Butane-1,3-diyl bis(chloroacetate)?
You can request a quote for Butane-1,3-diyl bis(chloroacetate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butane-1,3-diyl bis(chloroacetate)?
Yes, KEHONG BIO provides custom synthesis services for Butane-1,3-diyl bis(chloroacetate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.