3-Methoxybutyl 3-chloropropanoate
TL;DR: 3-Methoxybutyl 3-chloropropanoate (CAS 6328-80-9) is a chemical compound with molecular formula C8H15ClO3 and molecular weight 194.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxybutyl 3-chloropropanoate
Also Known As: 3-methoxybutyl 3-chloropropanoate, Propanoic acid,3-chloro-,3-methoxybutyl ester, Propanoic acid,3-chloro-, 3-methoxybutyl ester
| Molecular Formula | C8H15ClO3 |
|---|---|
| Molecular Weight | 194.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 194.07097 |
| Heavy Atoms | 12 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 6328-80-9 |
|---|---|
| SMILES | CC(CCOC(=O)CCCl)OC |
| InChIKey | PUBWRORXIWRYBK-UHFFFAOYSA-N |
Product Overview
3-Methoxybutyl 3-chloropropanoate (CAS 6328-80-9), with molecular formula C8H15ClO3 and molecular weight 194.07 g/mol. IUPAC: 3-methoxybutyl 3-chloropropanoate.
Chemical Property Profile of 3-Methoxybutyl 3-chloropropanoate
Property Insights of 3-Methoxybutyl 3-chloropropanoate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxybutyl 3-chloropropanoate. With a topological polar surface area (TPSA) of 35.5 Ų, 3-Methoxybutyl 3-chloropropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxybutyl 3-chloropropanoate has 0 hydrogen bond donor(s) and 3 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 3-Methoxybutyl 3-chloropropanoate?
The CAS number of 3-Methoxybutyl 3-chloropropanoate is 6328-80-9.
What is the molecular formula of 3-Methoxybutyl 3-chloropropanoate?
The molecular formula of 3-Methoxybutyl 3-chloropropanoate is C8H15ClO3.
What is the molecular weight of 3-Methoxybutyl 3-chloropropanoate?
The molecular weight of 3-Methoxybutyl 3-chloropropanoate is 194.07 g/mol.
Where can I buy 3-Methoxybutyl 3-chloropropanoate?
You can request a quote for 3-Methoxybutyl 3-chloropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxybutyl 3-chloropropanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxybutyl 3-chloropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.