Calcifediol
TL;DR: Calcifediol (CAS 63283-36-3) is a chemical compound with molecular formula C27H44O2 and molecular weight 400.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S)-3-[2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
Also Known As: Calcifediol, Calderol, Calcidiol, Dedrogyl, Diaverene
| Molecular Formula | C27H44O2 |
|---|---|
| Molecular Weight | 400.33 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.33414 |
| Heavy Atoms | 29 |
| Complexity | 655.0 |
Chemical Identifiers
| CAS Number | 63283-36-3 |
|---|---|
| SMILES | C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](CCC3=C)O)C |
| InChIKey | JWUBBDSIWDLEOM-DLBXBJKMSA-N |
Product Overview
Calcifediol (CAS 63283-36-3), with molecular formula C27H44O2 and molecular weight 400.33 g/mol. IUPAC: (1S)-3-[2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol.
Chemical Property Profile of Calcifediol
Property Insights of Calcifediol
The XLogP value of 6.2 indicates that Calcifediol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Calcifediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Calcifediol has 2 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 Calcifediol?
The CAS number of Calcifediol is 63283-36-3.
What is the molecular formula of Calcifediol?
The molecular formula of Calcifediol is C27H44O2.
What is the molecular weight of Calcifediol?
The molecular weight of Calcifediol is 400.33 g/mol.
Where can I buy Calcifediol?
You can request a quote for Calcifediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcifediol?
Yes, KEHONG BIO provides custom synthesis services for Calcifediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.