19-nor-Alfacalcidol
TL;DR: 19-nor-Alfacalcidol (CAS 131918-60-0) is a chemical compound with molecular formula C26H44O2 and molecular weight 388.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
Also Known As: 19-nor-Alfacalcidol, 1alpha-Hydroxy-19-norcholecalciferol, (1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol, (1R,3R)-5-{2-[(1R,3aS,4E,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-octahydro-1H-inden-4-ylidene]ethylidene}cyclohexane-1,3-diol
| Molecular Formula | C26H44O2 |
|---|---|
| Molecular Weight | 388.33 g/mol |
| LogP | 6.4237 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.33414 |
| Heavy Atoms | 28 |
| Complexity | 562.9819 |
Chemical Identifiers
| CAS Number | 131918-60-0 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C[C@@H](C3)O)O)C |
Product Overview
19-nor-Alfacalcidol (CAS 131918-60-0), with molecular formula C26H44O2 and molecular weight 388.33 g/mol. IUPAC: trans-(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol.
Chemical Property Profile of 19-nor-Alfacalcidol
Property Insights of 19-nor-Alfacalcidol
The XLogP value of 6.4237 indicates that 19-nor-Alfacalcidol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.46 Ų, 19-nor-Alfacalcidol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 19-nor-Alfacalcidol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 19-nor-Alfacalcidol?
The CAS number of 19-nor-Alfacalcidol is 131918-60-0.
What is the molecular formula of 19-nor-Alfacalcidol?
The molecular formula of 19-nor-Alfacalcidol is C26H44O2.
What is the molecular weight of 19-nor-Alfacalcidol?
The molecular weight of 19-nor-Alfacalcidol is 388.33 g/mol.
Where can I buy 19-nor-Alfacalcidol?
You can request a quote for 19-nor-Alfacalcidol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 19-nor-Alfacalcidol?
Yes, KEHONG BIO provides custom synthesis services for 19-nor-Alfacalcidol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.