Nitiducol
TL;DR: Nitiducol (CAS 66446-94-4) 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.
17-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-ol
Also Known As: Nitiducol, 4-Geranyl-3-hydroxy-8,9-methylenedioxypterocarpan, 6H-[1,3]Dioxolo[5,6]benzofuro[3,2-c][1]benzopyran-3-ol, 4-(3,7-dimethyl-2,6-octadienyl)-6a,12a-dihydro-, (6aS-cis)-, 4-[(2E)-3,7-Dimethyl-2,6-octadienyl]-6a,12a-dihydro-6H-[1,3]dioxolo[4',5':5,6][1]benzofuro[3,2-c]chromen-3-ol #, 6H-(1,3)Dioxolo(5,6)benzofuro(3,2-c)(1)benzopyran-3-ol, 4-(3,7-dimethyl-2,6-octadienyl)-6a,12a-dihydro-, (6aS-cis)-
| Molecular Formula | C26H28O5 |
|---|---|
| Molecular Weight | 420.19 g/mol |
| LogP | 5.9658 |
| Topological Polar Surface Area | 57.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.19366 |
| Heavy Atoms | 31 |
| Complexity | 1077.6903 |
Chemical Identifiers
| CAS Number | 66446-94-4 |
|---|---|
| SMILES | CC(=CCC/C(=C/CC1=C(C=CC2=C1OCC3C2OC4=CC5=C(C=C34)OCO5)O)/C)C |
Product Overview
Nitiducol (CAS 66446-94-4), with molecular formula C26H28O5 and molecular weight 420.19 g/mol. IUPAC: 17-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-ol.
Chemical Property Profile of Nitiducol
Property Insights of Nitiducol
The XLogP value of 5.9658 indicates that Nitiducol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.15 Ų, Nitiducol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nitiducol 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 Nitiducol?
The CAS number of Nitiducol is 66446-94-4.
What is the molecular formula of Nitiducol?
The molecular formula of Nitiducol is C26H28O5.
What is the molecular weight of Nitiducol?
The molecular weight of Nitiducol is 420.19 g/mol.
Where can I buy Nitiducol?
You can request a quote for Nitiducol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitiducol?
Yes, KEHONG BIO provides custom synthesis services for Nitiducol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.