Naboctate
TL;DR: Naboctate (CAS 74912-19-9) is a chemical compound with molecular formula C33H53NO3 and molecular weight 511.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6,6,9-trimethyl-3-nonan-2-yl-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl) 4-(diethylamino)butanoate
Also Known As: Naboctate, Naboctato, Naboctatum, Naboctate [INN], (6,6,9-trimethyl-3-nonan-2-yl-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl) 4-(diethylamino)butanoate
| Molecular Formula | C33H53NO3 |
|---|---|
| Molecular Weight | 511.40 g/mol |
| LogP | 8.8 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 511.40256 |
| Heavy Atoms | 37 |
| Complexity | 740.0 |
Chemical Identifiers
| CAS Number | 74912-19-9 |
|---|---|
| SMILES | CCCCCCCC(C)C1=CC2=C(C3=C(CCC(C3)C)C(O2)(C)C)C(=C1)OC(=O)CCCN(CC)CC |
| InChIKey | UDQAWRWPAGUCRX-UHFFFAOYSA-N |
Product Overview
Naboctate (CAS 74912-19-9), with molecular formula C33H53NO3 and molecular weight 511.40 g/mol. IUPAC: (6,6,9-trimethyl-3-nonan-2-yl-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl) 4-(diethylamino)butanoate.
Chemical Property Profile of Naboctate
Property Insights of Naboctate
The XLogP value of 8.8 indicates that Naboctate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, Naboctate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Naboctate has 0 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 Naboctate?
The CAS number of Naboctate is 74912-19-9.
What is the molecular formula of Naboctate?
The molecular formula of Naboctate is C33H53NO3.
What is the molecular weight of Naboctate?
The molecular weight of Naboctate is 511.40 g/mol.
Where can I buy Naboctate?
You can request a quote for Naboctate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Naboctate?
Yes, KEHONG BIO provides custom synthesis services for Naboctate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.