Nitidulin
TL;DR: Nitidulin (CAS 66446-87-5) is a chemical compound with molecular formula C26H30O5 and molecular weight 422.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-6-[8-methyl-8-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]benzene-1,2-diol
Also Known As: Nitidulin, 2H,8H-Benzo[1,2-b:3,4-b']dipyran, 1,2-benzenediol deriv., 1,2-Benzenediol, 3-[3,4-dihydro-8-methyl-8-(4-methyl-3-pentenyl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-3-yl]-6-methoxy-, 2H,8H-Benzo(1,2-b:3,4-b')dipyran, 1,2-benzenediol deriv., 1,2-Benzenediol, 3-[(3S)-3,4-dihydro-8-methyl-8-(4-methyl-3-pentenyl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-3-yl]-6-methoxy-
| Molecular Formula | C26H30O5 |
|---|---|
| Molecular Weight | 422.21 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.20932 |
| Heavy Atoms | 31 |
| Complexity | 671.0 |
Chemical Identifiers
| CAS Number | 66446-87-5 |
|---|---|
| SMILES | CC(=CCCC1(C=CC2=C(O1)C=CC3=C2OCC(C3)C4=C(C(=C(C=C4)OC)O)O)C)C |
| InChIKey | GRHKVSQNMXZXME-UHFFFAOYSA-N |
Product Overview
Nitidulin (CAS 66446-87-5), with molecular formula C26H30O5 and molecular weight 422.21 g/mol. IUPAC: 3-methoxy-6-[8-methyl-8-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]benzene-1,2-diol.
Chemical Property Profile of Nitidulin
Property Insights of Nitidulin
The XLogP value of 5.8 indicates that Nitidulin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Nitidulin. Following Lipinski's Rule of Five, Nitidulin has 2 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 Nitidulin?
The CAS number of Nitidulin is 66446-87-5.
What is the molecular formula of Nitidulin?
The molecular formula of Nitidulin is C26H30O5.
What is the molecular weight of Nitidulin?
The molecular weight of Nitidulin is 422.21 g/mol.
Where can I buy Nitidulin?
You can request a quote for Nitidulin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitidulin?
Yes, KEHONG BIO provides custom synthesis services for Nitidulin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.