8(14)a-Homocalcitriol
TL;DR: 8(14)a-Homocalcitriol (CAS 145459-22-9) is a chemical compound with molecular formula C28H46O3 and molecular weight 430.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,8aS)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-8a-methyl-1,2,3,3a,4,6,7,8-octahydroazulen-5-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Also Known As: 8(14)a-Homocalcitriol, 8 a-homocalcitriol, (5Z,7E)-1alpha,25-Dihydroxy-8(14)a-homocholecalciferol, (5Z,7E)-(1S,3R)-8(14)a-homo-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol, (5Z,7E)-(1S,3R)-8(14a)-Homo-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol
| Molecular Formula | C28H46O3 |
|---|---|
| Molecular Weight | 430.34 g/mol |
| LogP | 6.0948 |
| Topological Polar Surface Area | 60.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.3447 |
| Heavy Atoms | 31 |
| Complexity | 697.5364 |
Chemical Identifiers
| CAS Number | 145459-22-9 |
|---|---|
| SMILES | C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/C2)C |
Product Overview
8(14)a-Homocalcitriol (CAS 145459-22-9), with molecular formula C28H46O3 and molecular weight 430.34 g/mol. IUPAC: trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,8aS)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-8a-methyl-1,2,3,3a,4,6,7,8-octahydroazulen-5-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol.
Chemical Property Profile of 8(14)a-Homocalcitriol
Property Insights of 8(14)a-Homocalcitriol
The XLogP value of 6.0948 indicates that 8(14)a-Homocalcitriol 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 8(14)a-Homocalcitriol. Following Lipinski's Rule of Five, 8(14)a-Homocalcitriol 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 8(14)a-Homocalcitriol?
The CAS number of 8(14)a-Homocalcitriol is 145459-22-9.
What is the molecular formula of 8(14)a-Homocalcitriol?
The molecular formula of 8(14)a-Homocalcitriol is C28H46O3.
What is the molecular weight of 8(14)a-Homocalcitriol?
The molecular weight of 8(14)a-Homocalcitriol is 430.34 g/mol.
Where can I buy 8(14)a-Homocalcitriol?
You can request a quote for 8(14)a-Homocalcitriol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8(14)a-Homocalcitriol?
Yes, KEHONG BIO provides custom synthesis services for 8(14)a-Homocalcitriol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.