麦角固醇
TL;DR: 麦角固醇 (CAS 57-87-4) is a chemical compound with molecular formula C28H44O and molecular weight 396.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
麦角固醇
(3S,9S,10R,13R,14R,17R)-17-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: Provitamin D2, 24,25-Epiminolanosterol, Ergosta-5,7,22-trien-3beta-ol, 5,7,22-Ergostatrien-3, A-ol
| Molecular Formula | C28H44O |
|---|---|
| Molecular Weight | 396.34 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.3392 |
| Heavy Atoms | 29 |
| Complexity | 712.0 |
Chemical Identifiers
| CAS Number | 57-87-4 |
|---|---|
| SMILES | C[C@H](C=C[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C |
| InChIKey | DNVPQKQSNYMLRS-VVQHAZRASA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
麦角固醇 (CAS 57-87-4), with molecular formula C28H44O and molecular weight 396.34 g/mol. IUPAC: (3S,9S,10R,13R,14R,17R)-17-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol.
Chemical Property Profile of 麦角固醇
Property Insights of 麦角固醇
The XLogP value of 7.4 indicates that 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 20.2 Ų, 麦角固醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 麦角固醇 has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 麦角固醇?
The CAS number of 麦角固醇 is 57-87-4.
What is the molecular formula of 麦角固醇?
The molecular formula of 麦角固醇 is C28H44O.
What is the molecular weight of 麦角固醇?
The molecular weight of 麦角固醇 is 396.34 g/mol.
Where can I buy 麦角固醇?
You can request a quote for 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 麦角固醇?
Yes, KEHONG BIO provides custom synthesis services for 麦角固醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.