Mono-4-coumarylputrescine
TL;DR: Mono-4-coumarylputrescine (CAS 80244-08-2) is a chemical compound with molecular formula C13H19ClN2O2 and molecular weight 270.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-(4-aminobutyl)-3-(4-hydroxyphenyl)prop-2-enamide;hydrochloride
Also Known As: MPCPT, Mono-p-coumarylputrescine, Mono-4-coumarylputrescine, Monoparacoumarylputrescinium chloride, p-Coumaroylputrescine Hydrochloric Salt
| Molecular Formula | C13H19ClN2O2 |
|---|---|
| Molecular Weight | 270.11 g/mol |
| LogP | 1.6823 |
| Topological Polar Surface Area | 75.35 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 270.1135 |
| Heavy Atoms | 18 |
| Complexity | 377.08255 |
Chemical Identifiers
| CAS Number | 80244-08-2 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/C(=O)NCCCCN)O.Cl |
Product Overview
Mono-4-coumarylputrescine (CAS 80244-08-2), with molecular formula C13H19ClN2O2 and molecular weight 270.11 g/mol. IUPAC: (E)-N-(4-aminobutyl)-3-(4-hydroxyphenyl)prop-2-enamide;hydrochloride.
Chemical Property Profile of Mono-4-coumarylputrescine
Property Insights of Mono-4-coumarylputrescine
The XLogP value of 1.6823 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mono-4-coumarylputrescine. The TPSA of 75.35 Ų falls within the moderate polarity range, balancing permeability and solubility for Mono-4-coumarylputrescine. Following Lipinski's Rule of Five, Mono-4-coumarylputrescine has 3 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 Mono-4-coumarylputrescine?
The CAS number of Mono-4-coumarylputrescine is 80244-08-2.
What is the molecular formula of Mono-4-coumarylputrescine?
The molecular formula of Mono-4-coumarylputrescine is C13H19ClN2O2.
What is the molecular weight of Mono-4-coumarylputrescine?
The molecular weight of Mono-4-coumarylputrescine is 270.11 g/mol.
Where can I buy Mono-4-coumarylputrescine?
You can request a quote for Mono-4-coumarylputrescine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mono-4-coumarylputrescine?
Yes, KEHONG BIO provides custom synthesis services for Mono-4-coumarylputrescine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.