methyl (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-2-enoate
TL;DR: methyl (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-2-enoate (CAS 99298-05-2) is a chemical compound with molecular formula C17H23NO4 and molecular weight 305.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-2-enoate
Also Known As: Methyl (2E)-4-[(tert-butoxycarbonyl)amino]-5-phenyl-2-pentenoate, methyl (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-2-enoate, (S)-4-(tert-Butoxycarbonyl)amino-5-phenyl-(E)-2-pentenoic acid methyl ester
| Molecular Formula | C17H23NO4 |
|---|---|
| Molecular Weight | 305.16 g/mol |
| LogP | 2.8516 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.16272 |
| Heavy Atoms | 22 |
| Complexity | 517.2105 |
Chemical Identifiers
| CAS Number | 99298-05-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)/C=C/C(=O)OC |
Product Overview
methyl (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-2-enoate (CAS 99298-05-2), with molecular formula C17H23NO4 and molecular weight 305.16 g/mol. IUPAC: methyl (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-2-enoate.
Chemical Property Profile of methyl (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-2-enoate
Property Insights of methyl (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-2-enoate
The XLogP value of 2.8516 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-2-enoate. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-2-enoate. Following Lipinski's Rule of Five, methyl (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-2-enoate has 1 hydrogen bond donor(s) and 4 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 (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-2-enoate?
The CAS number of methyl (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-2-enoate is 99298-05-2.
What is the molecular formula of methyl (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-2-enoate?
The molecular formula of methyl (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-2-enoate is C17H23NO4.
What is the molecular weight of methyl (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-2-enoate?
The molecular weight of methyl (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-2-enoate is 305.16 g/mol.
Where can I buy methyl (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-2-enoate?
You can request a quote for methyl (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.