RefChem:905704
TL;DR: RefChem:905704 (CAS 87407-70-3) is a chemical compound with molecular formula C26H43NO3 and molecular weight 417.32 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,7aR)-1-[(2S)-1-[(2-hydroxy-2-methylpropyl)amino]propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Also Known As: 1,25-Dihydroxy-23-azavitamin D3, 1alpha,25-Dihydroxy-23-azavitamin D3, 1 alpha,25-dihydroxy-23-azavitamin D3, 1alpha,25-Dihydroxy-23-aza-cholecalciferol, 1alpha,25-Dihydroxy-23-azavitamin D3/1alpha,25-dihydroxy-23-azacholecalciferol
| Molecular Formula | C26H43NO3 |
|---|---|
| Molecular Weight | 417.32 g/mol |
| LogP | 4.124 |
| Topological Polar Surface Area | 72.72 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.32428 |
| Heavy Atoms | 30 |
| Complexity | 688.8825 |
Chemical Identifiers
| CAS Number | 87407-70-3 |
|---|---|
| SMILES | C[C@H](CNCC(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
RefChem:905704 (CAS 87407-70-3), with molecular formula C26H43NO3 and molecular weight 417.32 g/mol. IUPAC: trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2S)-1-[(2-hydroxy-2-methylpropyl)amino]propan-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 RefChem:905704
Property Insights of RefChem:905704
The XLogP value of 4.124 indicates that RefChem:905704 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.72 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:905704. Following Lipinski's Rule of Five, RefChem:905704 has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:905704?
The CAS number of RefChem:905704 is 87407-70-3.
What is the molecular formula of RefChem:905704?
The molecular formula of RefChem:905704 is C26H43NO3.
What is the molecular weight of RefChem:905704?
The molecular weight of RefChem:905704 is 417.32 g/mol.
Where can I buy RefChem:905704?
You can request a quote for RefChem:905704 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:905704?
Yes, KEHONG BIO provides custom synthesis services for RefChem:905704 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.