Isopyrocalciferol
TL;DR: Isopyrocalciferol (CAS 474-70-4) 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.
(3S,9R,10R,13R,14R,17R)-17-[(E,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: Isopyrocalciferol, Isopyrovitamin D2, 9beta-Ergosterol, Isopyroergocalciferol, Isopyrocalciferol [MI]
| Molecular Formula | C28H44O |
|---|---|
| Molecular Weight | 396.34 g/mol |
| LogP | 7.3308 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.3392 |
| Heavy Atoms | 29 |
| Complexity | 711.82544 |
Chemical Identifiers
| CAS Number | 474-70-4 |
|---|---|
| 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 |
Product Overview
Isopyrocalciferol (CAS 474-70-4), with molecular formula C28H44O and molecular weight 396.34 g/mol. IUPAC: (3S,9R,10R,13R,14R,17R)-17-[(E,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 Isopyrocalciferol
Property Insights of Isopyrocalciferol
The XLogP value of 7.3308 indicates that Isopyrocalciferol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.23 Ų, Isopyrocalciferol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopyrocalciferol 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 Isopyrocalciferol?
The CAS number of Isopyrocalciferol is 474-70-4.
What is the molecular formula of Isopyrocalciferol?
The molecular formula of Isopyrocalciferol is C28H44O.
What is the molecular weight of Isopyrocalciferol?
The molecular weight of Isopyrocalciferol is 396.34 g/mol.
Where can I buy Isopyrocalciferol?
You can request a quote for Isopyrocalciferol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopyrocalciferol?
Yes, KEHONG BIO provides custom synthesis services for Isopyrocalciferol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.