Calcipotriol, (5E)-
TL;DR: Calcipotriol, (5E)- (CAS 910133-70-9) is a chemical compound with molecular formula C27H40O3 and molecular weight 412.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-(1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Also Known As: Calcipotriol, (5E)-Calcipotriol, calcipotriene, (5E)-Calcipotriene, Calcipotriol Impurity C
| Molecular Formula | C27H40O3 |
|---|---|
| Molecular Weight | 412.30 g/mol |
| LogP | 5.0906 |
| Topological Polar Surface Area | 60.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.29776 |
| Heavy Atoms | 30 |
| Complexity | 743.20715 |
Chemical Identifiers
| CAS Number | 910133-70-9 |
|---|---|
| SMILES | C[C@H](/C=C/[C@H](C1CC1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C\4/C[C@H](C[C@@H](C4=C)O)O)C |
Product Overview
Calcipotriol, (5E)- (CAS 910133-70-9), with molecular formula C27H40O3 and molecular weight 412.30 g/mol. IUPAC: trans-(1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-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 Calcipotriol, (5E)-
Property Insights of Calcipotriol, (5E)-
The XLogP value of 5.0906 indicates that Calcipotriol, (5E)- 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 Calcipotriol, (5E)-. Following Lipinski's Rule of Five, Calcipotriol, (5E)- 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 Calcipotriol, (5E)-?
The CAS number of Calcipotriol, (5E)- is 910133-70-9.
What is the molecular formula of Calcipotriol, (5E)-?
The molecular formula of Calcipotriol, (5E)- is C27H40O3.
What is the molecular weight of Calcipotriol, (5E)-?
The molecular weight of Calcipotriol, (5E)- is 412.30 g/mol.
Where can I buy Calcipotriol, (5E)-?
You can request a quote for Calcipotriol, (5E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcipotriol, (5E)-?
Yes, KEHONG BIO provides custom synthesis services for Calcipotriol, (5E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.