Isopyrocalciferol acetate
TL;DR: Isopyrocalciferol acetate (CAS 28953-25-5) is a chemical compound with molecular formula C30H46O2 and molecular weight 438.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[17-[(E)-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-yl] acetate
Also Known As: Isopyrocalciferol acetate, ergosta-5,7,22-trien-3-yl acetate, Ergosta-5,7,22-trien-3-ol, acetate, (22E)-Ergosta-5,7,22-trien-3-yl acetate #, 9.beta.-Ergosta-5,22-trien-3.beta.-ol, acetate
| Molecular Formula | C30H46O2 |
|---|---|
| Molecular Weight | 438.35 g/mol |
| LogP | 7.9016 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.3498 |
| Heavy Atoms | 32 |
| Complexity | 816.68823 |
Chemical Identifiers
| CAS Number | 28953-25-5 |
|---|---|
| SMILES | CC(C)C(C)/C=C/C(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)OC(=O)C)C)C |
Product Overview
Isopyrocalciferol acetate (CAS 28953-25-5), with molecular formula C30H46O2 and molecular weight 438.35 g/mol. IUPAC: [17-[(E)-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-yl] acetate.
Chemical Property Profile of Isopyrocalciferol acetate
Property Insights of Isopyrocalciferol acetate
The XLogP value of 7.9016 indicates that Isopyrocalciferol 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, Isopyrocalciferol acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopyrocalciferol 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 Isopyrocalciferol acetate?
The CAS number of Isopyrocalciferol acetate is 28953-25-5.
What is the molecular formula of Isopyrocalciferol acetate?
The molecular formula of Isopyrocalciferol acetate is C30H46O2.
What is the molecular weight of Isopyrocalciferol acetate?
The molecular weight of Isopyrocalciferol acetate is 438.35 g/mol.
Where can I buy Isopyrocalciferol acetate?
You can request a quote for Isopyrocalciferol acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopyrocalciferol acetate?
Yes, KEHONG BIO provides custom synthesis services for Isopyrocalciferol acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.