骨化三醇
TL;DR: 骨化三醇 (CAS 32222-06-3) 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.
骨化三醇
5-[2-[1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Also Known As: calcitriol, Calcifediol, trans-Calcitriol, 1-Epicalcitriol, 1beta-Calcitriol
| Molecular Formula | C27H44O3 |
|---|---|
| Molecular Weight | 416.33 g/mol |
| LogP | 5.1 |
| 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 | 32222-06-3 |
|---|---|
| SMILES | CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C |
| InChIKey | GMRQFYUYWCNGIN-UHFFFAOYSA-N |
Product Overview
骨化三醇 (CAS 32222-06-3), with molecular formula C27H44O3 and molecular weight 416.33 g/mol. IUPAC: 5-[2-[1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol.
Chemical Property Profile of 骨化三醇
Property Insights of 骨化三醇
The XLogP value of 5.1 indicates that 骨化三醇 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 骨化三醇. Following Lipinski's Rule of Five, 骨化三醇 has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 骨化三醇?
The CAS number of 骨化三醇 is 32222-06-3.
What is the molecular formula of 骨化三醇?
The molecular formula of 骨化三醇 is C27H44O3.
What is the molecular weight of 骨化三醇?
The molecular weight of 骨化三醇 is 416.33 g/mol.
Where can I buy 骨化三醇?
You can request a quote for 骨化三醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 骨化三醇?
Yes, KEHONG BIO provides custom synthesis services for 骨化三醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.