1,23,25-Trihydroxyvitamin D3
TL;DR: 1,23,25-Trihydroxyvitamin D3 (CAS 86701-33-9) is a chemical compound with molecular formula C27H44O4 and molecular weight 432.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-(1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,4S)-4,6-dihydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Also Known As: 1,23,25-Trihydroxyvitamin D3, 1,23,25-Trihydroxycholecalciferol, (1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,4S)-4,6-dihydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol, 9,10-Secocholesta-5,7,10(19)-triene-1,3,23,25-tetrol, (1alpha,3beta,5Z,7E,23S)-, RefChem:72146
| Molecular Formula | C27H44O4 |
|---|---|
| Molecular Weight | 432.32 g/mol |
| LogP | 4.6755 |
| Topological Polar Surface Area | 80.92 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.32397 |
| Heavy Atoms | 31 |
| Complexity | 715.2383 |
Chemical Identifiers
| CAS Number | 86701-33-9 |
|---|---|
| SMILES | C[C@H](C[C@@H](CC(C)(C)O)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
1,23,25-Trihydroxyvitamin D3 (CAS 86701-33-9), with molecular formula C27H44O4 and molecular weight 432.32 g/mol. IUPAC: trans-(1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,4S)-4,6-dihydroxy-6-methylheptan-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 1,23,25-Trihydroxyvitamin D3
Property Insights of 1,23,25-Trihydroxyvitamin D3
The XLogP value of 4.6755 indicates that 1,23,25-Trihydroxyvitamin D3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,23,25-Trihydroxyvitamin D3. Following Lipinski's Rule of Five, 1,23,25-Trihydroxyvitamin D3 has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,23,25-Trihydroxyvitamin D3?
The CAS number of 1,23,25-Trihydroxyvitamin D3 is 86701-33-9.
What is the molecular formula of 1,23,25-Trihydroxyvitamin D3?
The molecular formula of 1,23,25-Trihydroxyvitamin D3 is C27H44O4.
What is the molecular weight of 1,23,25-Trihydroxyvitamin D3?
The molecular weight of 1,23,25-Trihydroxyvitamin D3 is 432.32 g/mol.
Where can I buy 1,23,25-Trihydroxyvitamin D3?
You can request a quote for 1,23,25-Trihydroxyvitamin D3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,23,25-Trihydroxyvitamin D3?
Yes, KEHONG BIO provides custom synthesis services for 1,23,25-Trihydroxyvitamin D3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.