Prop-2-ynyl 5-(3-methylanilino)-5-oxopentanoate
TL;DR: Prop-2-ynyl 5-(3-methylanilino)-5-oxopentanoate (CAS 314767-34-5) is a chemical compound with molecular formula C15H17NO3 and molecular weight 259.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-ynyl 5-(3-methylanilino)-5-oxopentanoate
Also Known As: 2-propynyl 5-oxo-5-(3-toluidino)pentanoate, prop-2-ynyl 5-(3-methylanilino)-5-oxopentanoate, 2-propyn-1-yl 5-[(3-methylphenyl)amino]-5-oxopentanoate, prop-2-ynyl 4-[N-(3-methylphenyl)carbamoyl]butanoate, A2238/0094203
| Molecular Formula | C15H17NO3 |
|---|---|
| Molecular Weight | 259.12 g/mol |
| LogP | 2.28022 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 259.12085 |
| Heavy Atoms | 19 |
| Complexity | 488.4092 |
Chemical Identifiers
| CAS Number | 314767-34-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CCCC(=O)OCC#C |
Product Overview
Prop-2-ynyl 5-(3-methylanilino)-5-oxopentanoate (CAS 314767-34-5), with molecular formula C15H17NO3 and molecular weight 259.12 g/mol. IUPAC: prop-2-ynyl 5-(3-methylanilino)-5-oxopentanoate.
Chemical Property Profile of Prop-2-ynyl 5-(3-methylanilino)-5-oxopentanoate
Property Insights of Prop-2-ynyl 5-(3-methylanilino)-5-oxopentanoate
The XLogP value of 2.28022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Prop-2-ynyl 5-(3-methylanilino)-5-oxopentanoate. With a topological polar surface area (TPSA) of 55.4 Ų, Prop-2-ynyl 5-(3-methylanilino)-5-oxopentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Prop-2-ynyl 5-(3-methylanilino)-5-oxopentanoate 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 Prop-2-ynyl 5-(3-methylanilino)-5-oxopentanoate?
The CAS number of Prop-2-ynyl 5-(3-methylanilino)-5-oxopentanoate is 314767-34-5.
What is the molecular formula of Prop-2-ynyl 5-(3-methylanilino)-5-oxopentanoate?
The molecular formula of Prop-2-ynyl 5-(3-methylanilino)-5-oxopentanoate is C15H17NO3.
What is the molecular weight of Prop-2-ynyl 5-(3-methylanilino)-5-oxopentanoate?
The molecular weight of Prop-2-ynyl 5-(3-methylanilino)-5-oxopentanoate is 259.12 g/mol.
Where can I buy Prop-2-ynyl 5-(3-methylanilino)-5-oxopentanoate?
You can request a quote for Prop-2-ynyl 5-(3-methylanilino)-5-oxopentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prop-2-ynyl 5-(3-methylanilino)-5-oxopentanoate?
Yes, KEHONG BIO provides custom synthesis services for Prop-2-ynyl 5-(3-methylanilino)-5-oxopentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.