Tisocalcitate
TL;DR: Tisocalcitate (CAS 156965-06-9) is a chemical compound with molecular formula C31H48O5 and molecular weight 500.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl (E,3R,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-3-hydroxy-2,2-dimethylhept-4-enoate
Also Known As: Tisocalcitate, Tissocalcitol, Tisocalcitato, tisocalcitatum, Tisocalcitate [INN]
| Molecular Formula | C31H48O5 |
|---|---|
| Molecular Weight | 500.35 g/mol |
| LogP | 5.6584 |
| Topological Polar Surface Area | 86.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 500.3502 |
| Heavy Atoms | 36 |
| Complexity | 909.9267 |
Chemical Identifiers
| CAS Number | 156965-06-9 |
|---|---|
| SMILES | C[C@H](/C=C/[C@H](C(C)(C)C(=O)OC(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
Tisocalcitate (CAS 156965-06-9), with molecular formula C31H48O5 and molecular weight 500.35 g/mol. IUPAC: propan-2-yl (E,3R,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-3-hydroxy-2,2-dimethylhept-4-enoate.
Chemical Property Profile of Tisocalcitate
Property Insights of Tisocalcitate
The XLogP value of 5.6584 indicates that Tisocalcitate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.99 Ų falls within the moderate polarity range, balancing permeability and solubility for Tisocalcitate. Following Lipinski's Rule of Five, Tisocalcitate has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tisocalcitate?
The CAS number of Tisocalcitate is 156965-06-9.
What is the molecular formula of Tisocalcitate?
The molecular formula of Tisocalcitate is C31H48O5.
What is the molecular weight of Tisocalcitate?
The molecular weight of Tisocalcitate is 500.35 g/mol.
Where can I buy Tisocalcitate?
You can request a quote for Tisocalcitate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tisocalcitate?
Yes, KEHONG BIO provides custom synthesis services for Tisocalcitate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.