(S,E)-Methyl 4-(benzyloxy)pent-2-enoate
TL;DR: (S,E)-Methyl 4-(benzyloxy)pent-2-enoate (CAS 112489-57-3) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E,4S)-4-phenylmethoxypent-2-enoate
Also Known As: (S,E)-Methyl 4-(benzyloxy)pent-2-enoate, methyl4-phenylmethoxypent-2-enoate, methyl (E,4S)-4-phenylmethoxypent-2-enoate, (S,E)-Methyl4-(benzyloxy)pent-2-enoate, methyl (2e,4s)-4-(benzyloxy)pent-2-enoate
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 2.3209 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 343.45517 |
Chemical Identifiers
| CAS Number | 112489-57-3 |
|---|---|
| SMILES | C[C@@H](/C=C/C(=O)OC)OCC1=CC=CC=C1 |
Product Overview
(S,E)-Methyl 4-(benzyloxy)pent-2-enoate (CAS 112489-57-3), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: methyl (E,4S)-4-phenylmethoxypent-2-enoate.
Chemical Property Profile of (S,E)-Methyl 4-(benzyloxy)pent-2-enoate
Property Insights of (S,E)-Methyl 4-(benzyloxy)pent-2-enoate
The XLogP value of 2.3209 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S,E)-Methyl 4-(benzyloxy)pent-2-enoate. With a topological polar surface area (TPSA) of 35.53 Ų, (S,E)-Methyl 4-(benzyloxy)pent-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S,E)-Methyl 4-(benzyloxy)pent-2-enoate 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 (S,E)-Methyl 4-(benzyloxy)pent-2-enoate?
The CAS number of (S,E)-Methyl 4-(benzyloxy)pent-2-enoate is 112489-57-3.
What is the molecular formula of (S,E)-Methyl 4-(benzyloxy)pent-2-enoate?
The molecular formula of (S,E)-Methyl 4-(benzyloxy)pent-2-enoate is C13H16O3.
What is the molecular weight of (S,E)-Methyl 4-(benzyloxy)pent-2-enoate?
The molecular weight of (S,E)-Methyl 4-(benzyloxy)pent-2-enoate is 220.11 g/mol.
Where can I buy (S,E)-Methyl 4-(benzyloxy)pent-2-enoate?
You can request a quote for (S,E)-Methyl 4-(benzyloxy)pent-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S,E)-Methyl 4-(benzyloxy)pent-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for (S,E)-Methyl 4-(benzyloxy)pent-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.