Neoergosterol, acetate
TL;DR: Neoergosterol, acetate (CAS 32277-79-5) is a chemical compound with molecular formula C29H42O2 and molecular weight 422.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[17-[(Z)-5,6-dimethylhept-3-en-2-yl]-13-methyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] acetate
Also Known As: Neoergosterol, acetate, 19-Norergosta-5,9,22-tetraen-3.beta.-ol, acetate, 19-Norergosta-5,7,9,22-tetraen-3.beta.-ol, acetate, 19-Norergosta-5,7,9,22-tetraen-3-ol, acetate, (3.beta.,22E)-, 19-Norergosta-5,9,22-tetraen-3-ol, acetate, (3.beta.,22E)-
| Molecular Formula | C29H42O2 |
|---|---|
| Molecular Weight | 422.32 g/mol |
| LogP | 7.0375 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.31848 |
| Heavy Atoms | 31 |
| Complexity | 850.5381 |
Chemical Identifiers
| CAS Number | 32277-79-5 |
|---|---|
| SMILES | CC(C)C(C)/C=C\C(C)C1CCC2C1(CCC3=C2C=CC4=C3CCC(C4)OC(=O)C)C |
Product Overview
Neoergosterol, acetate (CAS 32277-79-5), with molecular formula C29H42O2 and molecular weight 422.32 g/mol. IUPAC: [17-[(Z)-5,6-dimethylhept-3-en-2-yl]-13-methyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of Neoergosterol, acetate
Property Insights of Neoergosterol, acetate
The XLogP value of 7.0375 indicates that Neoergosterol, acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Neoergosterol, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Neoergosterol, acetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Neoergosterol, acetate?
The CAS number of Neoergosterol, acetate is 32277-79-5.
What is the molecular formula of Neoergosterol, acetate?
The molecular formula of Neoergosterol, acetate is C29H42O2.
What is the molecular weight of Neoergosterol, acetate?
The molecular weight of Neoergosterol, acetate is 422.32 g/mol.
Where can I buy Neoergosterol, acetate?
You can request a quote for Neoergosterol, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neoergosterol, acetate?
Yes, KEHONG BIO provides custom synthesis services for Neoergosterol, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.