4-(4-(3-(Butylamino)-2-hydroxypropoxy)phenyl)-7-methoxy-3-phenylcoumarin
TL;DR: 4-(4-(3-(Butylamino)-2-hydroxypropoxy)phenyl)-7-methoxy-3-phenylcoumarin (CAS 109736-10-9) is a chemical compound with molecular formula C29H31NO5 and molecular weight 473.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[3-(butylamino)-2-hydroxypropoxy]phenyl]-7-methoxy-3-phenylchromen-2-one
Also Known As: 4-(4-(3-(Butylamino)-2-hydroxypropoxy)phenyl)-7-methoxy-3-phenylcoumarin, Coumarin, 4-(4-(3-(butylamino)-2-hydroxypropoxy)phenyl)-7-methoxy-3-phenyl-, 2H-1-Benzopyran-2-one, 4-(4-(3-(butylamino)-2-hydroxypropoxy)phenyl)-7-methoxy-3-phenyl-, 4-(4-(3-(Butylamino)-2-hydroxypropoxy)phenyl)-7-methoxy-3-phenyl-2H-1-benzopyran-2-one, 2H-1-Benzopyran-2-one,4-[4-[3-(butylamino)-2-hydroxypropoxy]phenyl]-7-methoxy-3-phenyl-
| Molecular Formula | C29H31NO5 |
|---|---|
| Molecular Weight | 473.22 g/mol |
| LogP | 5.265 |
| Topological Polar Surface Area | 80.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 473.2202 |
| Heavy Atoms | 35 |
| Complexity | 1298.7104 |
Chemical Identifiers
| CAS Number | 109736-10-9 |
|---|---|
| SMILES | CCCCNCC(COC1=CC=C(C=C1)C2=C(C(=O)OC3=C2C=CC(=C3)OC)C4=CC=CC=C4)O |
Product Overview
4-(4-(3-(Butylamino)-2-hydroxypropoxy)phenyl)-7-methoxy-3-phenylcoumarin (CAS 109736-10-9), with molecular formula C29H31NO5 and molecular weight 473.22 g/mol. IUPAC: 4-[4-[3-(butylamino)-2-hydroxypropoxy]phenyl]-7-methoxy-3-phenylchromen-2-one.
Chemical Property Profile of 4-(4-(3-(Butylamino)-2-hydroxypropoxy)phenyl)-7-methoxy-3-phenylcoumarin
Property Insights of 4-(4-(3-(Butylamino)-2-hydroxypropoxy)phenyl)-7-methoxy-3-phenylcoumarin
The XLogP value of 5.265 indicates that 4-(4-(3-(Butylamino)-2-hydroxypropoxy)phenyl)-7-methoxy-3-phenylcoumarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-(3-(Butylamino)-2-hydroxypropoxy)phenyl)-7-methoxy-3-phenylcoumarin. Following Lipinski's Rule of Five, 4-(4-(3-(Butylamino)-2-hydroxypropoxy)phenyl)-7-methoxy-3-phenylcoumarin has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4-(3-(Butylamino)-2-hydroxypropoxy)phenyl)-7-methoxy-3-phenylcoumarin?
The CAS number of 4-(4-(3-(Butylamino)-2-hydroxypropoxy)phenyl)-7-methoxy-3-phenylcoumarin is 109736-10-9.
What is the molecular formula of 4-(4-(3-(Butylamino)-2-hydroxypropoxy)phenyl)-7-methoxy-3-phenylcoumarin?
The molecular formula of 4-(4-(3-(Butylamino)-2-hydroxypropoxy)phenyl)-7-methoxy-3-phenylcoumarin is C29H31NO5.
What is the molecular weight of 4-(4-(3-(Butylamino)-2-hydroxypropoxy)phenyl)-7-methoxy-3-phenylcoumarin?
The molecular weight of 4-(4-(3-(Butylamino)-2-hydroxypropoxy)phenyl)-7-methoxy-3-phenylcoumarin is 473.22 g/mol.
Where can I buy 4-(4-(3-(Butylamino)-2-hydroxypropoxy)phenyl)-7-methoxy-3-phenylcoumarin?
You can request a quote for 4-(4-(3-(Butylamino)-2-hydroxypropoxy)phenyl)-7-methoxy-3-phenylcoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-(3-(Butylamino)-2-hydroxypropoxy)phenyl)-7-methoxy-3-phenylcoumarin?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-(3-(Butylamino)-2-hydroxypropoxy)phenyl)-7-methoxy-3-phenylcoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.