Butane-1,3-diyl bis(2-chloropropanoate)
TL;DR: Butane-1,3-diyl bis(2-chloropropanoate) (CAS 10397-22-5) is a chemical compound with molecular formula C10H16Cl2O4 and molecular weight 270.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloropropanoyloxy)butyl 2-chloropropanoate
Also Known As: butane-1,3-diyl bis(2-chloropropanoate), 3-(2-chloropropanoyloxy)butyl 2-chloropropanoate
| Molecular Formula | C10H16Cl2O4 |
|---|---|
| Molecular Weight | 270.04 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 270.04257 |
| Heavy Atoms | 16 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 10397-22-5 |
|---|---|
| SMILES | CC(CCOC(=O)C(C)Cl)OC(=O)C(C)Cl |
| InChIKey | ZFYTYLWHTNILNP-UHFFFAOYSA-N |
Product Overview
Butane-1,3-diyl bis(2-chloropropanoate) (CAS 10397-22-5), with molecular formula C10H16Cl2O4 and molecular weight 270.04 g/mol. IUPAC: 3-(2-chloropropanoyloxy)butyl 2-chloropropanoate.
Chemical Property Profile of Butane-1,3-diyl bis(2-chloropropanoate)
Property Insights of Butane-1,3-diyl bis(2-chloropropanoate)
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butane-1,3-diyl bis(2-chloropropanoate). With a topological polar surface area (TPSA) of 52.6 Ų, Butane-1,3-diyl bis(2-chloropropanoate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butane-1,3-diyl bis(2-chloropropanoate) 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(2-chloropropanoate)?
The CAS number of Butane-1,3-diyl bis(2-chloropropanoate) is 10397-22-5.
What is the molecular formula of Butane-1,3-diyl bis(2-chloropropanoate)?
The molecular formula of Butane-1,3-diyl bis(2-chloropropanoate) is C10H16Cl2O4.
What is the molecular weight of Butane-1,3-diyl bis(2-chloropropanoate)?
The molecular weight of Butane-1,3-diyl bis(2-chloropropanoate) is 270.04 g/mol.
Where can I buy Butane-1,3-diyl bis(2-chloropropanoate)?
You can request a quote for Butane-1,3-diyl bis(2-chloropropanoate) 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(2-chloropropanoate)?
Yes, KEHONG BIO provides custom synthesis services for Butane-1,3-diyl bis(2-chloropropanoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.