Nitidulan
TL;DR: Nitidulan (CAS 66446-91-1) is a chemical compound with molecular formula C26H28O5 and molecular weight 420.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[8-methyl-8-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]-1,3-benzodioxol-5-ol
Also Known As: Nitidulan, 2H,8H-Benzo[1,2-b:3,4-b']dipyran, 1,3-benzodioxol-5-ol deriv., 1,3-Benzodioxol-5-ol, 6-[3,4-dihydro-8-methyl-8-(4-methyl-3-pentenyl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-3-yl]-, 2H,8H-Benzo(1,2-b:3,4-b')dipyran, 1,3-benzodioxol-5-ol deriv., 6-[8-methyl-8-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]-1,3-benzodioxol-5-ol
| Molecular Formula | C26H28O5 |
|---|---|
| Molecular Weight | 420.19 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.19366 |
| Heavy Atoms | 31 |
| Complexity | 700.0 |
Chemical Identifiers
| CAS Number | 66446-91-1 |
|---|---|
| SMILES | CC(=CCCC1(C=CC2=C(O1)C=CC3=C2OCC(C3)C4=CC5=C(C=C4O)OCO5)C)C |
| InChIKey | CBOJKMZBEYAWFP-UHFFFAOYSA-N |
Product Overview
Nitidulan (CAS 66446-91-1), with molecular formula C26H28O5 and molecular weight 420.19 g/mol. IUPAC: 6-[8-methyl-8-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]-1,3-benzodioxol-5-ol.
Chemical Property Profile of Nitidulan
Property Insights of Nitidulan
The XLogP value of 6.0 indicates that Nitidulan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.2 Ų, Nitidulan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nitidulan has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nitidulan?
The CAS number of Nitidulan is 66446-91-1.
What is the molecular formula of Nitidulan?
The molecular formula of Nitidulan is C26H28O5.
What is the molecular weight of Nitidulan?
The molecular weight of Nitidulan is 420.19 g/mol.
Where can I buy Nitidulan?
You can request a quote for Nitidulan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitidulan?
Yes, KEHONG BIO provides custom synthesis services for Nitidulan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.