阿法骨化醇
TL;DR: 阿法骨化醇 (CAS 41294-56-8) 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.
阿法骨化醇
5-[2-[7a-methyl-1-(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 | 41294-56-8 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C |
| InChIKey | OFHCOWSQAMBJIW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
阿法骨化醇 (CAS 41294-56-8), with molecular formula C27H44O2 and molecular weight 400.33 g/mol. IUPAC: 5-[2-[7a-methyl-1-(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 阿法骨化醇
Property Insights of 阿法骨化醇
The XLogP value of 6.8 indicates that 阿法骨化醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 阿法骨化醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 阿法骨化醇 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 阿法骨化醇?
The CAS number of 阿法骨化醇 is 41294-56-8.
What is the molecular formula of 阿法骨化醇?
The molecular formula of 阿法骨化醇 is C27H44O2.
What is the molecular weight of 阿法骨化醇?
The molecular weight of 阿法骨化醇 is 400.33 g/mol.
Where can I buy 阿法骨化醇?
You can request a quote for 阿法骨化醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿法骨化醇?
Yes, KEHONG BIO provides custom synthesis services for 阿法骨化醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.