10-Ketovitamin D3
TL;DR: 10-Ketovitamin D3 (CAS 95480-84-5) is a chemical compound with molecular formula C26H42O2 and molecular weight 386.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z,4S)-2-[(2E)-2-[(3R,3aS,7aS)-3a-methyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,6,7,7a-hexahydro-1H-inden-5-ylidene]ethylidene]-4-hydroxycyclohexan-1-one
Also Known As: 10-Ketovitamin D3, 10-Ketocholecalciferol, 10-Keto-vitamin D3, Cholecalciferol-10-one, (2Z,4S)-2-[(2E)-2-[(3R,3aS,7aS)-3a-methyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,6,7,7a-hexahydro-1H-inden-5-ylidene]ethylidene]-4-hydroxycyclohexan-1-one
| Molecular Formula | C26H42O2 |
|---|---|
| Molecular Weight | 386.32 g/mol |
| LogP | 6.6319 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.31848 |
| Heavy Atoms | 28 |
| Complexity | 613.92236 |
Chemical Identifiers
| CAS Number | 95480-84-5 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(C/C(=C/C=C\3/C[C@H](CCC3=O)O)/CC2)C |
Product Overview
10-Ketovitamin D3 (CAS 95480-84-5), with molecular formula C26H42O2 and molecular weight 386.32 g/mol. IUPAC: (2Z,4S)-2-[(2E)-2-[(3R,3aS,7aS)-3a-methyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,6,7,7a-hexahydro-1H-inden-5-ylidene]ethylidene]-4-hydroxycyclohexan-1-one.
Chemical Property Profile of 10-Ketovitamin D3
Property Insights of 10-Ketovitamin D3
The XLogP value of 6.6319 indicates that 10-Ketovitamin D3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 10-Ketovitamin D3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 10-Ketovitamin D3 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 10-Ketovitamin D3?
The CAS number of 10-Ketovitamin D3 is 95480-84-5.
What is the molecular formula of 10-Ketovitamin D3?
The molecular formula of 10-Ketovitamin D3 is C26H42O2.
What is the molecular weight of 10-Ketovitamin D3?
The molecular weight of 10-Ketovitamin D3 is 386.32 g/mol.
Where can I buy 10-Ketovitamin D3?
You can request a quote for 10-Ketovitamin D3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-Ketovitamin D3?
Yes, KEHONG BIO provides custom synthesis services for 10-Ketovitamin D3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.