Methyl 4-chloro-3-methoxy-2-butenoate
TL;DR: Methyl 4-chloro-3-methoxy-2-butenoate (CAS 954409-02-0) is a chemical compound with molecular formula C6H9ClO3 and molecular weight 164.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (Z)-4-chloro-3-methoxybut-2-enoate
Also Known As: EINECS 285-842-9, JNYMRXDQVPIONI-HYXAFXHYSA-, Methyl 4-chloro-3-methoxy-2-butenoate, methyl 4-chloro-3-methoxybut-2-enoate, (z)-methyl 4-chloro-3-methoxybut-2-enoate
| Molecular Formula | C6H9ClO3 |
|---|---|
| Molecular Weight | 164.02 g/mol |
| LogP | 0.9285 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.02402 |
| Heavy Atoms | 10 |
| Complexity | 135.92836 |
Chemical Identifiers
| CAS Number | 954409-02-0 |
|---|---|
| SMILES | CO/C(=C\C(=O)OC)/CCl |
Product Overview
Methyl 4-chloro-3-methoxy-2-butenoate (CAS 954409-02-0), with molecular formula C6H9ClO3 and molecular weight 164.02 g/mol. IUPAC: methyl (Z)-4-chloro-3-methoxybut-2-enoate.
Chemical Property Profile of Methyl 4-chloro-3-methoxy-2-butenoate
Property Insights of Methyl 4-chloro-3-methoxy-2-butenoate
The XLogP value of 0.9285 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-chloro-3-methoxy-2-butenoate. With a topological polar surface area (TPSA) of 35.53 Ų, Methyl 4-chloro-3-methoxy-2-butenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-chloro-3-methoxy-2-butenoate 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 Methyl 4-chloro-3-methoxy-2-butenoate?
The CAS number of Methyl 4-chloro-3-methoxy-2-butenoate is 954409-02-0.
What is the molecular formula of Methyl 4-chloro-3-methoxy-2-butenoate?
The molecular formula of Methyl 4-chloro-3-methoxy-2-butenoate is C6H9ClO3.
What is the molecular weight of Methyl 4-chloro-3-methoxy-2-butenoate?
The molecular weight of Methyl 4-chloro-3-methoxy-2-butenoate is 164.02 g/mol.
Where can I buy Methyl 4-chloro-3-methoxy-2-butenoate?
You can request a quote for Methyl 4-chloro-3-methoxy-2-butenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-chloro-3-methoxy-2-butenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-chloro-3-methoxy-2-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.