1,25-dihydroxy-23-thiavitamin D3
TL;DR: 1,25-dihydroxy-23-thiavitamin D3 (CAS 87480-00-0) is a chemical compound with molecular formula C26H42O3S and molecular weight 434.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-(1R,3S,5E)-5-[(2E)-2-[(3aS,7aR)-1-[1-(2-hydroxy-2-methylpropyl)sulfanylpropan-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-DTVD3, 1,25-Dihydroxy-23-thiavitamin D3, 1alpha,25-Dihydroxy-23-thiavitamin D3, 1 alpha,25-dihydroxy-23-thiavitamin D3, (1R,3S,5E)-5-[(2E)-2-[(3aS,7aR)-1-[1-(2-hydroxy-2-methylpropyl)sulfanylpropan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
| Molecular Formula | C26H42O3S |
|---|---|
| Molecular Weight | 434.29 g/mol |
| LogP | 5.2676 |
| Topological Polar Surface Area | 60.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 434.28546 |
| Heavy Atoms | 30 |
| Complexity | 688.8825 |
Chemical Identifiers
| CAS Number | 87480-00-0 |
|---|---|
| SMILES | CC(CSCC(C)(C)O)C1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](C[C@@H](C3=C)O)O)C |
Product Overview
1,25-dihydroxy-23-thiavitamin D3 (CAS 87480-00-0), with molecular formula C26H42O3S and molecular weight 434.29 g/mol. IUPAC: trans-(1R,3S,5E)-5-[(2E)-2-[(3aS,7aR)-1-[1-(2-hydroxy-2-methylpropyl)sulfanylpropan-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 1,25-dihydroxy-23-thiavitamin D3
Property Insights of 1,25-dihydroxy-23-thiavitamin D3
The XLogP value of 5.2676 indicates that 1,25-dihydroxy-23-thiavitamin D3 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 1,25-dihydroxy-23-thiavitamin D3. Following Lipinski's Rule of Five, 1,25-dihydroxy-23-thiavitamin D3 has 3 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 1,25-dihydroxy-23-thiavitamin D3?
The CAS number of 1,25-dihydroxy-23-thiavitamin D3 is 87480-00-0.
What is the molecular formula of 1,25-dihydroxy-23-thiavitamin D3?
The molecular formula of 1,25-dihydroxy-23-thiavitamin D3 is C26H42O3S.
What is the molecular weight of 1,25-dihydroxy-23-thiavitamin D3?
The molecular weight of 1,25-dihydroxy-23-thiavitamin D3 is 434.29 g/mol.
Where can I buy 1,25-dihydroxy-23-thiavitamin D3?
You can request a quote for 1,25-dihydroxy-23-thiavitamin D3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,25-dihydroxy-23-thiavitamin D3?
Yes, KEHONG BIO provides custom synthesis services for 1,25-dihydroxy-23-thiavitamin D3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.