Methyl (2S,4E)-5-chloro-2-isopropylpent-4-enoate
TL;DR: Methyl (2S,4E)-5-chloro-2-isopropylpent-4-enoate (CAS 387353-77-7) is a chemical compound with molecular formula C9H15ClO2 and molecular weight 190.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E,2S)-5-chloro-2-propan-2-ylpent-4-enoate
Also Known As: Aliskiren inter-11, (S,E)-Methyl 5-chloro-2-isopropylpent-4-enoate, 5011AB, methyl (E,2S)-5-chloro-2-propan-2-ylpent-4-enoate, (S,E)-Methyl5-chloro-2-isopropylpent-4-enoate
| Molecular Formula | C9H15ClO2 |
|---|---|
| Molecular Weight | 190.08 g/mol |
| LogP | 2.5742 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 190.07605 |
| Heavy Atoms | 12 |
| Complexity | 163.91147 |
Chemical Identifiers
| CAS Number | 387353-77-7 |
|---|---|
| SMILES | CC(C)[C@H](C/C=C/Cl)C(=O)OC |
Product Overview
Methyl (2S,4E)-5-chloro-2-isopropylpent-4-enoate (CAS 387353-77-7), with molecular formula C9H15ClO2 and molecular weight 190.08 g/mol. IUPAC: methyl (E,2S)-5-chloro-2-propan-2-ylpent-4-enoate.
Chemical Property Profile of Methyl (2S,4E)-5-chloro-2-isopropylpent-4-enoate
Property Insights of Methyl (2S,4E)-5-chloro-2-isopropylpent-4-enoate
The XLogP value of 2.5742 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (2S,4E)-5-chloro-2-isopropylpent-4-enoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl (2S,4E)-5-chloro-2-isopropylpent-4-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (2S,4E)-5-chloro-2-isopropylpent-4-enoate has 0 hydrogen bond donor(s) and 2 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 (2S,4E)-5-chloro-2-isopropylpent-4-enoate?
The CAS number of Methyl (2S,4E)-5-chloro-2-isopropylpent-4-enoate is 387353-77-7.
What is the molecular formula of Methyl (2S,4E)-5-chloro-2-isopropylpent-4-enoate?
The molecular formula of Methyl (2S,4E)-5-chloro-2-isopropylpent-4-enoate is C9H15ClO2.
What is the molecular weight of Methyl (2S,4E)-5-chloro-2-isopropylpent-4-enoate?
The molecular weight of Methyl (2S,4E)-5-chloro-2-isopropylpent-4-enoate is 190.08 g/mol.
Where can I buy Methyl (2S,4E)-5-chloro-2-isopropylpent-4-enoate?
You can request a quote for Methyl (2S,4E)-5-chloro-2-isopropylpent-4-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (2S,4E)-5-chloro-2-isopropylpent-4-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (2S,4E)-5-chloro-2-isopropylpent-4-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.