1,25-dihydroxy-16-ene-vitamin D3
TL;DR: 1,25-dihydroxy-16-ene-vitamin D3 (CAS 124409-58-1) is a chemical compound with molecular formula C27H42O3 and molecular weight 414.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R)-5-[(2E)-2-[(3aS,7aS)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethyl]-6-methylidenecyclohex-3-ene-1,3-diol
Also Known As: 1,25-Dihydroxy-16-ene-vitamin D3, 1,25-(OH)2-16-Ene-D3, 1alpha,25-Dihydroxy-16-enevitamin D3, Ro 24-2637, SID:134223019
| Molecular Formula | C27H42O3 |
|---|---|
| Molecular Weight | 414.31 g/mol |
| LogP | 6.3956 |
| Topological Polar Surface Area | 60.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 414.3134 |
| Heavy Atoms | 30 |
| Complexity | 735.6974 |
Chemical Identifiers
| CAS Number | 124409-58-1 |
|---|---|
| SMILES | C[C@H](CCCC(C)(C)O)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\CC3C=C(C[C@H](C3=C)O)O)C |
Product Overview
1,25-dihydroxy-16-ene-vitamin D3 (CAS 124409-58-1), with molecular formula C27H42O3 and molecular weight 414.31 g/mol. IUPAC: (1R)-5-[(2E)-2-[(3aS,7aS)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethyl]-6-methylidenecyclohex-3-ene-1,3-diol.
Chemical Property Profile of 1,25-dihydroxy-16-ene-vitamin D3
Property Insights of 1,25-dihydroxy-16-ene-vitamin D3
The XLogP value of 6.3956 indicates that 1,25-dihydroxy-16-ene-vitamin 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-16-ene-vitamin D3. Following Lipinski's Rule of Five, 1,25-dihydroxy-16-ene-vitamin D3 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 1,25-dihydroxy-16-ene-vitamin D3?
The CAS number of 1,25-dihydroxy-16-ene-vitamin D3 is 124409-58-1.
What is the molecular formula of 1,25-dihydroxy-16-ene-vitamin D3?
The molecular formula of 1,25-dihydroxy-16-ene-vitamin D3 is C27H42O3.
What is the molecular weight of 1,25-dihydroxy-16-ene-vitamin D3?
The molecular weight of 1,25-dihydroxy-16-ene-vitamin D3 is 414.31 g/mol.
Where can I buy 1,25-dihydroxy-16-ene-vitamin D3?
You can request a quote for 1,25-dihydroxy-16-ene-vitamin 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-16-ene-vitamin D3?
Yes, KEHONG BIO provides custom synthesis services for 1,25-dihydroxy-16-ene-vitamin D3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.