(1-Chloro-3-prop-2-enoxypropan-2-yl) butanoate
TL;DR: (1-Chloro-3-prop-2-enoxypropan-2-yl) butanoate (CAS 6319-28-4) is a chemical compound with molecular formula C10H17ClO3 and molecular weight 220.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-chloro-3-prop-2-enoxypropan-2-yl) butanoate
Also Known As: (1-chloro-3-prop-2-enoxypropan-2-yl) butanoate, 1-Allyloxy-2-chlor-3-propyl-butyrat, 1-chloro-3-(prop-2-en-1-yloxy)propan-2-yl butanoate, 1-Chloro-3-[(prop-2-en-1-yl)oxy]propan-2-yl butanoate, Butanoic acid, 1-(chloromethyl)-2-(2-propen-1-yloxy)ethylester
| Molecular Formula | C10H17ClO3 |
|---|---|
| Molecular Weight | 220.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 220.08662 |
| Heavy Atoms | 14 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 6319-28-4 |
|---|---|
| SMILES | CCCC(=O)OC(COCC=C)CCl |
| InChIKey | YYFNDQGOXHSBOB-UHFFFAOYSA-N |
Product Overview
(1-Chloro-3-prop-2-enoxypropan-2-yl) butanoate (CAS 6319-28-4), with molecular formula C10H17ClO3 and molecular weight 220.09 g/mol. IUPAC: (1-chloro-3-prop-2-enoxypropan-2-yl) butanoate.
Chemical Property Profile of (1-Chloro-3-prop-2-enoxypropan-2-yl) butanoate
Property Insights of (1-Chloro-3-prop-2-enoxypropan-2-yl) butanoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-Chloro-3-prop-2-enoxypropan-2-yl) butanoate. With a topological polar surface area (TPSA) of 35.5 Ų, (1-Chloro-3-prop-2-enoxypropan-2-yl) butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Chloro-3-prop-2-enoxypropan-2-yl) butanoate 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 (1-Chloro-3-prop-2-enoxypropan-2-yl) butanoate?
The CAS number of (1-Chloro-3-prop-2-enoxypropan-2-yl) butanoate is 6319-28-4.
What is the molecular formula of (1-Chloro-3-prop-2-enoxypropan-2-yl) butanoate?
The molecular formula of (1-Chloro-3-prop-2-enoxypropan-2-yl) butanoate is C10H17ClO3.
What is the molecular weight of (1-Chloro-3-prop-2-enoxypropan-2-yl) butanoate?
The molecular weight of (1-Chloro-3-prop-2-enoxypropan-2-yl) butanoate is 220.09 g/mol.
Where can I buy (1-Chloro-3-prop-2-enoxypropan-2-yl) butanoate?
You can request a quote for (1-Chloro-3-prop-2-enoxypropan-2-yl) butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Chloro-3-prop-2-enoxypropan-2-yl) butanoate?
Yes, KEHONG BIO provides custom synthesis services for (1-Chloro-3-prop-2-enoxypropan-2-yl) butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.