1beta,25-dihydroxyvitamin D2/1beta,25-dihydroxyergocalciferol
TL;DR: 1beta,25-dihydroxyvitamin D2/1beta,25-dihydroxyergocalciferol (CAS 98169-40-5) 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.
cis-(1R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Also Known As: 1,25-Dihydroxyergocalciferol, 1beta,25-dihydroxyvitamin D2 / 1beta,25-dihydroxyergocalciferol, (5Z,7E,22E)-(1R,3R)-9,10-seco-5,7,10(19),22-ergostatetraene-1,3,25-triol, (1?,3?,5Z,7E,22E)-9,10-Secoergosta-5,7,10(19),22-tetraene-1,3,25-triol not 1?,25-Dihydroxy-3-epi-vitamin D2
| Molecular Formula | C28H44O3 |
|---|---|
| Molecular Weight | 428.33 g/mol |
| LogP | 5.7267 |
| Topological Polar Surface Area | 60.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.32904 |
| Heavy Atoms | 31 |
| Complexity | 752.7095 |
Chemical Identifiers
| CAS Number | 98169-40-5 |
|---|---|
| SMILES | C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@H](C3=C)O)O)C |
Product Overview
1beta,25-dihydroxyvitamin D2/1beta,25-dihydroxyergocalciferol (CAS 98169-40-5), with molecular formula C28H44O3 and molecular weight 428.33 g/mol. IUPAC: cis-(1R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol.
Chemical Property Profile of 1beta,25-dihydroxyvitamin D2/1beta,25-dihydroxyergocalciferol
Property Insights of 1beta,25-dihydroxyvitamin D2/1beta,25-dihydroxyergocalciferol
The XLogP value of 5.7267 indicates that 1beta,25-dihydroxyvitamin D2/1beta,25-dihydroxyergocalciferol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 1beta,25-dihydroxyvitamin D2/1beta,25-dihydroxyergocalciferol. Following Lipinski's Rule of Five, 1beta,25-dihydroxyvitamin D2/1beta,25-dihydroxyergocalciferol has 3 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 1beta,25-dihydroxyvitamin D2/1beta,25-dihydroxyergocalciferol?
The CAS number of 1beta,25-dihydroxyvitamin D2/1beta,25-dihydroxyergocalciferol is 98169-40-5.
What is the molecular formula of 1beta,25-dihydroxyvitamin D2/1beta,25-dihydroxyergocalciferol?
The molecular formula of 1beta,25-dihydroxyvitamin D2/1beta,25-dihydroxyergocalciferol is C28H44O3.
What is the molecular weight of 1beta,25-dihydroxyvitamin D2/1beta,25-dihydroxyergocalciferol?
The molecular weight of 1beta,25-dihydroxyvitamin D2/1beta,25-dihydroxyergocalciferol is 428.33 g/mol.
Where can I buy 1beta,25-dihydroxyvitamin D2/1beta,25-dihydroxyergocalciferol?
You can request a quote for 1beta,25-dihydroxyvitamin D2/1beta,25-dihydroxyergocalciferol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1beta,25-dihydroxyvitamin D2/1beta,25-dihydroxyergocalciferol?
Yes, KEHONG BIO provides custom synthesis services for 1beta,25-dihydroxyvitamin D2/1beta,25-dihydroxyergocalciferol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.