Methyl 4-oxo-4-(4-phenylhepta-1,6-dien-4-ylamino)butanoate
TL;DR: Methyl 4-oxo-4-(4-phenylhepta-1,6-dien-4-ylamino)butanoate (CAS 307338-98-3) is a chemical compound with molecular formula C18H23NO3 and molecular weight 301.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-oxo-4-(4-phenylhepta-1,6-dien-4-ylamino)butanoate
Also Known As: BAS 00632526, methyl 4-oxo-4-(4-phenylhepta-1,6-dien-4-ylamino)butanoate, BRD-K07921855-001-01-9, N-(1-Allyl-1-phenyl-but-3-enyl)-succinamic acid methyl ester, methyl 4-[(1-allyl-1-phenyl-3-buten-1-yl)amino]-4-oxobutanoate
| Molecular Formula | C18H23NO3 |
|---|---|
| Molecular Weight | 301.17 g/mol |
| LogP | 3.1035 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 301.1678 |
| Heavy Atoms | 22 |
| Complexity | 512.3936 |
Chemical Identifiers
| CAS Number | 307338-98-3 |
|---|---|
| SMILES | COC(=O)CCC(=O)NC(CC=C)(CC=C)C1=CC=CC=C1 |
Product Overview
Methyl 4-oxo-4-(4-phenylhepta-1,6-dien-4-ylamino)butanoate (CAS 307338-98-3), with molecular formula C18H23NO3 and molecular weight 301.17 g/mol. IUPAC: methyl 4-oxo-4-(4-phenylhepta-1,6-dien-4-ylamino)butanoate.
Chemical Property Profile of Methyl 4-oxo-4-(4-phenylhepta-1,6-dien-4-ylamino)butanoate
Property Insights of Methyl 4-oxo-4-(4-phenylhepta-1,6-dien-4-ylamino)butanoate
The XLogP value of 3.1035 indicates that Methyl 4-oxo-4-(4-phenylhepta-1,6-dien-4-ylamino)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 4-oxo-4-(4-phenylhepta-1,6-dien-4-ylamino)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-oxo-4-(4-phenylhepta-1,6-dien-4-ylamino)butanoate has 1 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-oxo-4-(4-phenylhepta-1,6-dien-4-ylamino)butanoate?
The CAS number of Methyl 4-oxo-4-(4-phenylhepta-1,6-dien-4-ylamino)butanoate is 307338-98-3.
What is the molecular formula of Methyl 4-oxo-4-(4-phenylhepta-1,6-dien-4-ylamino)butanoate?
The molecular formula of Methyl 4-oxo-4-(4-phenylhepta-1,6-dien-4-ylamino)butanoate is C18H23NO3.
What is the molecular weight of Methyl 4-oxo-4-(4-phenylhepta-1,6-dien-4-ylamino)butanoate?
The molecular weight of Methyl 4-oxo-4-(4-phenylhepta-1,6-dien-4-ylamino)butanoate is 301.17 g/mol.
Where can I buy Methyl 4-oxo-4-(4-phenylhepta-1,6-dien-4-ylamino)butanoate?
You can request a quote for Methyl 4-oxo-4-(4-phenylhepta-1,6-dien-4-ylamino)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-oxo-4-(4-phenylhepta-1,6-dien-4-ylamino)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-oxo-4-(4-phenylhepta-1,6-dien-4-ylamino)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.