Heminitidulan
TL;DR: Heminitidulan (CAS 66446-90-0) is a chemical compound with molecular formula C26H30O4 and molecular weight 406.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-2-[8-methyl-8-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]phenol
Also Known As: Heminitidulan, 2H,8H-Benzo[1,2-b:3,4-b']dipyran, phenol deriv., 2H,8H-Benzo(1,2-b:3,4-b')dipyran, phenol deriv., Phenol, 2-[3,4-dihydro-8-methyl-8-(4-methyl-3-pentenyl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-3-yl]-5-methoxy-, 5-methoxy-2-[8-methyl-8-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]phenol
| Molecular Formula | C26H30O4 |
|---|---|
| Molecular Weight | 406.21 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.21442 |
| Heavy Atoms | 30 |
| Complexity | 639.0 |
Chemical Identifiers
| CAS Number | 66446-90-0 |
|---|---|
| SMILES | CC(=CCCC1(C=CC2=C(O1)C=CC3=C2OCC(C3)C4=C(C=C(C=C4)OC)O)C)C |
| InChIKey | RUYCHAPZLGACHW-UHFFFAOYSA-N |
Product Overview
Heminitidulan (CAS 66446-90-0), with molecular formula C26H30O4 and molecular weight 406.21 g/mol. IUPAC: 5-methoxy-2-[8-methyl-8-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]phenol.
Chemical Property Profile of Heminitidulan
Property Insights of Heminitidulan
The XLogP value of 6.2 indicates that Heminitidulan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.9 Ų, Heminitidulan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heminitidulan has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Heminitidulan?
The CAS number of Heminitidulan is 66446-90-0.
What is the molecular formula of Heminitidulan?
The molecular formula of Heminitidulan is C26H30O4.
What is the molecular weight of Heminitidulan?
The molecular weight of Heminitidulan is 406.21 g/mol.
Where can I buy Heminitidulan?
You can request a quote for Heminitidulan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heminitidulan?
Yes, KEHONG BIO provides custom synthesis services for Heminitidulan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.