Neotigogenin acetate
TL;DR: Neotigogenin acetate (CAS 4947-75-5) is a chemical compound with molecular formula C29H46O4 and molecular weight 458.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl) acetate
Also Known As: Neotigogenin acetate, Tigogenin acetate, Smilagenin acetate, Tigogenin, Spirostan-3-yl acetate
| Molecular Formula | C29H46O4 |
|---|---|
| Molecular Weight | 458.34 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 458.3396 |
| Heavy Atoms | 33 |
| Complexity | 796.0 |
Chemical Identifiers
| CAS Number | 4947-75-5 |
|---|---|
| SMILES | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC(=O)C)C)C)C)OC1 |
| InChIKey | LVRAKYNQYKVPIK-UHFFFAOYSA-N |
Product Overview
Neotigogenin acetate (CAS 4947-75-5), with molecular formula C29H46O4 and molecular weight 458.34 g/mol. IUPAC: (5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl) acetate.
Chemical Property Profile of Neotigogenin acetate
Property Insights of Neotigogenin acetate
The XLogP value of 7.1 indicates that Neotigogenin acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Neotigogenin acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Neotigogenin acetate 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 Neotigogenin acetate?
The CAS number of Neotigogenin acetate is 4947-75-5.
What is the molecular formula of Neotigogenin acetate?
The molecular formula of Neotigogenin acetate is C29H46O4.
What is the molecular weight of Neotigogenin acetate?
The molecular weight of Neotigogenin acetate is 458.34 g/mol.
Where can I buy Neotigogenin acetate?
You can request a quote for Neotigogenin acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neotigogenin acetate?
Yes, KEHONG BIO provides custom synthesis services for Neotigogenin acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.