25-hydroxyvitamin D3 3-sulfate ester
TL;DR: 25-hydroxyvitamin D3 3-sulfate ester (CAS 99447-30-0) is a chemical compound with molecular formula C27H44O5S and molecular weight 480.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,3Z)-3-[(2Z)-2-[(1R,3aS,7aS)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-5-ylidene]ethylidene]-4-methylidenecyclohexyl] hydrogen sulfate
Also Known As: Calcifediol-3-sulfate, 25-Hydroxyvitamin D3 3-sulfate ester, 25-Hydroxycholecalciferol 3-sulfate, [(1S,3Z)-3-[(2Z)-2-[(1R,3aS,7aS)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-5-ylidene]ethylidene]-4-methylidenecyclohexyl] hydrogen sulfate, 9,10-Secocholesta-5,7,10(19)-triene-3,25-diol, 3-(hydrogen sulfate), (3beta,5Z,7E)-
| Molecular Formula | C27H44O5S |
|---|---|
| Molecular Weight | 480.29 g/mol |
| LogP | 6.561 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 480.29095 |
| Heavy Atoms | 33 |
| Complexity | 878.67804 |
Chemical Identifiers
| CAS Number | 99447-30-0 |
|---|---|
| SMILES | C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC/C(=C/C=C\3/C[C@H](CCC3=C)OS(=O)(=O)O)/C2)C |
Product Overview
25-hydroxyvitamin D3 3-sulfate ester (CAS 99447-30-0), with molecular formula C27H44O5S and molecular weight 480.29 g/mol. IUPAC: [(1S,3Z)-3-[(2Z)-2-[(1R,3aS,7aS)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-5-ylidene]ethylidene]-4-methylidenecyclohexyl] hydrogen sulfate.
Chemical Property Profile of 25-hydroxyvitamin D3 3-sulfate ester
Property Insights of 25-hydroxyvitamin D3 3-sulfate ester
The XLogP value of 6.561 indicates that 25-hydroxyvitamin D3 3-sulfate ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 25-hydroxyvitamin D3 3-sulfate ester. Following Lipinski's Rule of Five, 25-hydroxyvitamin D3 3-sulfate ester has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 25-hydroxyvitamin D3 3-sulfate ester?
The CAS number of 25-hydroxyvitamin D3 3-sulfate ester is 99447-30-0.
What is the molecular formula of 25-hydroxyvitamin D3 3-sulfate ester?
The molecular formula of 25-hydroxyvitamin D3 3-sulfate ester is C27H44O5S.
What is the molecular weight of 25-hydroxyvitamin D3 3-sulfate ester?
The molecular weight of 25-hydroxyvitamin D3 3-sulfate ester is 480.29 g/mol.
Where can I buy 25-hydroxyvitamin D3 3-sulfate ester?
You can request a quote for 25-hydroxyvitamin D3 3-sulfate ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 25-hydroxyvitamin D3 3-sulfate ester?
Yes, KEHONG BIO provides custom synthesis services for 25-hydroxyvitamin D3 3-sulfate ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.