alfacalcidol
TL;DR: alfacalcidol (CAS 65445-14-9) 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.
trans-(1R,3S)-5-[2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Also Known As: alfacalcidol, Alfacalcidolum, Alphacalcidol, Oxydevit, Alfarol
| Molecular Formula | C27H44O2 |
|---|---|
| Molecular Weight | 400.33 g/mol |
| LogP | 6.8 |
| 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 | 643.0 |
Chemical Identifiers
| CAS Number | 65445-14-9 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](C[C@@H](C3=C)O)O)C |
| InChIKey | OFHCOWSQAMBJIW-HBHUAMBYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alfacalcidol (CAS 65445-14-9), with molecular formula C27H44O2 and molecular weight 400.33 g/mol. IUPAC: trans-(1R,3S)-5-[2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol.
Chemical Property Profile of alfacalcidol
Property Insights of alfacalcidol
The XLogP value of 6.8 indicates that alfacalcidol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, alfacalcidol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alfacalcidol 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 alfacalcidol?
The CAS number of alfacalcidol is 65445-14-9.
What is the molecular formula of alfacalcidol?
The molecular formula of alfacalcidol is C27H44O2.
What is the molecular weight of alfacalcidol?
The molecular weight of alfacalcidol is 400.33 g/mol.
Where can I buy alfacalcidol?
You can request a quote for alfacalcidol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alfacalcidol?
Yes, KEHONG BIO provides custom synthesis services for alfacalcidol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.