艾地骨化醇
TL;DR: 艾地骨化醇 (CAS 104121-92-8) is a chemical compound with molecular formula C30H50O5 and molecular weight 490.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
艾地骨化醇
(1S,2S,3S)-5-[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]-2-(3-hydroxypropoxy)-4-methylidenecyclohexane-1,3-diol
Also Known As: Eldecalcitol
| Molecular Formula | C30H50O5 |
|---|---|
| Molecular Weight | 490.37 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 90.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 490.3658 |
| Heavy Atoms | 35 |
| Complexity | 784.0 |
Chemical Identifiers
| CAS Number | 104121-92-8 |
|---|---|
| SMILES | C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@@H]([C@@H]([C@H](C3=C)O)OCCCO)O)C |
| InChIKey | FZEXGDDBXLBRTD-JGBIVOAWSA-N |
Product Overview
艾地骨化醇 (CAS 104121-92-8), with molecular formula C30H50O5 and molecular weight 490.37 g/mol. IUPAC: (1S,2S,3S)-5-[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]-2-(3-hydroxypropoxy)-4-methylidenecyclohexane-1,3-diol.
Chemical Property Profile of 艾地骨化醇
Property Insights of 艾地骨化醇
The XLogP value of 4.3 indicates that 艾地骨化醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 艾地骨化醇. Following Lipinski's Rule of Five, 艾地骨化醇 has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 艾地骨化醇?
The CAS number of 艾地骨化醇 is 104121-92-8.
What is the molecular formula of 艾地骨化醇?
The molecular formula of 艾地骨化醇 is C30H50O5.
What is the molecular weight of 艾地骨化醇?
The molecular weight of 艾地骨化醇 is 490.37 g/mol.
Where can I buy 艾地骨化醇?
You can request a quote for 艾地骨化醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 艾地骨化醇?
Yes, KEHONG BIO provides custom synthesis services for 艾地骨化醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.