4-Heptadecylumbelliferone
TL;DR: 4-Heptadecylumbelliferone (CAS 26038-83-5) is a chemical compound with molecular formula C26H40O3 and molecular weight 400.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-heptadecyl-7-hydroxychromen-2-one
Also Known As: 4-Heptadecylumbelliferone, 4-Hdubf, 4-Heptadecyl-7-hydroxycoumarin, Umbelliferyl heptadecanoate, Ala-Ala-Ala-Ala-Ala
| Molecular Formula | C26H40O3 |
|---|---|
| Molecular Weight | 400.30 g/mol |
| LogP | 7.9125 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 16 |
| Exact Mass | 400.29776 |
| Heavy Atoms | 29 |
| Complexity | 747.19214 |
Chemical Identifiers
| CAS Number | 26038-83-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC1=CC(=O)OC2=C1C=CC(=C2)O |
Product Overview
4-Heptadecylumbelliferone (CAS 26038-83-5), with molecular formula C26H40O3 and molecular weight 400.30 g/mol. IUPAC: 4-heptadecyl-7-hydroxychromen-2-one.
Chemical Property Profile of 4-Heptadecylumbelliferone
Property Insights of 4-Heptadecylumbelliferone
The XLogP value of 7.9125 indicates that 4-Heptadecylumbelliferone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.44 Ų, 4-Heptadecylumbelliferone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Heptadecylumbelliferone has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Heptadecylumbelliferone?
The CAS number of 4-Heptadecylumbelliferone is 26038-83-5.
What is the molecular formula of 4-Heptadecylumbelliferone?
The molecular formula of 4-Heptadecylumbelliferone is C26H40O3.
What is the molecular weight of 4-Heptadecylumbelliferone?
The molecular weight of 4-Heptadecylumbelliferone is 400.30 g/mol.
Where can I buy 4-Heptadecylumbelliferone?
You can request a quote for 4-Heptadecylumbelliferone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Heptadecylumbelliferone?
Yes, KEHONG BIO provides custom synthesis services for 4-Heptadecylumbelliferone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.