过氧化麦角固醇
TL;DR: 过氧化麦角固醇 (CAS 2061-64-5) is a chemical compound with molecular formula C28H44O3 and molecular weight 428.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
过氧化麦角固醇
(1S,2R,5R,6R,9R,10R,13S,15S)-5-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol
Also Known As: Ergosterol peroxide, 5,8-Ergosta-6,22-dien-3-ol, 5,8-epidioxy-, 5alpha,8alpha-epidioxyergosta-6,22-dien-3beta-ol, 5,8alpha-Epidioxy-5alpha-ergosta-6,22-dien-3beta-ol, (3,5,8,22E)-5,8-Epidioxyergosta-6,22-dien-3-ol
| Molecular Formula | C28H44O3 |
|---|---|
| Molecular Weight | 428.33 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.32904 |
| Heavy Atoms | 31 |
| Complexity | 772.0 |
Chemical Identifiers
| CAS Number | 2061-64-5 |
|---|---|
| SMILES | C[C@H](C=C[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@]24C=C[C@@]5([C@@]3(CC[C@@H](C5)O)C)OO4)C |
| InChIKey | VXOZCESVZIRHCJ-SSMQBEIBSA-N |
Product Overview
过氧化麦角固醇 (CAS 2061-64-5), with molecular formula C28H44O3 and molecular weight 428.33 g/mol. IUPAC: (1S,2R,5R,6R,9R,10R,13S,15S)-5-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol.
Chemical Property Profile of 过氧化麦角固醇
Property Insights of 过氧化麦角固醇
The XLogP value of 6.7 indicates that 过氧化麦角固醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, 过氧化麦角固醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 过氧化麦角固醇 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 过氧化麦角固醇?
The CAS number of 过氧化麦角固醇 is 2061-64-5.
What is the molecular formula of 过氧化麦角固醇?
The molecular formula of 过氧化麦角固醇 is C28H44O3.
What is the molecular weight of 过氧化麦角固醇?
The molecular weight of 过氧化麦角固醇 is 428.33 g/mol.
Where can I buy 过氧化麦角固醇?
You can request a quote for 过氧化麦角固醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 过氧化麦角固醇?
Yes, KEHONG BIO provides custom synthesis services for 过氧化麦角固醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.