他卡西醇
TL;DR: 他卡西醇 (CAS 60965-80-2) 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.
他卡西醇
trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5-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: tacalcitol, Bonalfa, Curatoderm, Tacalcitolum, Alfatacacil
| Molecular Formula | C27H44O3 |
|---|---|
| Molecular Weight | 416.33 g/mol |
| LogP | 5.5606 |
| Topological Polar Surface Area | 60.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.32904 |
| Heavy Atoms | 30 |
| Complexity | 675.59564 |
Chemical Identifiers
| CAS Number | 60965-80-2 |
|---|---|
| SMILES | C[C@H](CC[C@H](C(C)C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C |
Product Overview
他卡西醇 (CAS 60965-80-2), with molecular formula C27H44O3 and molecular weight 416.33 g/mol. IUPAC: trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5-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 他卡西醇
Property Insights of 他卡西醇
The XLogP value of 5.5606 indicates that 他卡西醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 他卡西醇. Following Lipinski's Rule of Five, 他卡西醇 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 他卡西醇?
The CAS number of 他卡西醇 is 60965-80-2.
What is the molecular formula of 他卡西醇?
The molecular formula of 他卡西醇 is C27H44O3.
What is the molecular weight of 他卡西醇?
The molecular weight of 他卡西醇 is 416.33 g/mol.
Where can I buy 他卡西醇?
You can request a quote for 他卡西醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 他卡西醇?
Yes, KEHONG BIO provides custom synthesis services for 他卡西醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.