西卡骨化醇
TL;DR: 西卡骨化醇 (CAS 40013-87-4) is a chemical compound with molecular formula C27H44O3 and molecular weight 416.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
西卡骨化醇
6-[4-[2-(5-hydroxy-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,3-diol
Also Known As: SECALCIFEROL, Secalciferol-d6, 24, 25-Dihydroxy VD3, 24(R),25-Dihydroxyvitamin D3, 24,25-Dihydroxycholecalciferol
| Molecular Formula | C27H44O3 |
|---|---|
| Molecular Weight | 416.33 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.32904 |
| Heavy Atoms | 30 |
| Complexity | 688.0 |
Chemical Identifiers
| CAS Number | 40013-87-4 |
|---|---|
| SMILES | CC(CCC(C(C)(C)O)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C |
| InChIKey | FCKJYANJHNLEEP-UHFFFAOYSA-N |
Product Overview
西卡骨化醇 (CAS 40013-87-4), with molecular formula C27H44O3 and molecular weight 416.33 g/mol. IUPAC: 6-[4-[2-(5-hydroxy-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,3-diol.
Chemical Property Profile of 西卡骨化醇
Property Insights of 西卡骨化醇
The XLogP value of 5.0 indicates that 西卡骨化醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 西卡骨化醇. Following Lipinski's Rule of Five, 西卡骨化醇 has 3 hydrogen bond donor(s) and 3 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 西卡骨化醇?
The CAS number of 西卡骨化醇 is 40013-87-4.
What is the molecular formula of 西卡骨化醇?
The molecular formula of 西卡骨化醇 is C27H44O3.
What is the molecular weight of 西卡骨化醇?
The molecular weight of 西卡骨化醇 is 416.33 g/mol.
Where can I buy 西卡骨化醇?
You can request a quote for 西卡骨化醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 西卡骨化醇?
Yes, KEHONG BIO provides custom synthesis services for 西卡骨化醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.