Calcitriol Impurities D
TL;DR: Calcitriol Impurities D (CAS 103656-40-2) 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,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-(7-hydroxy-7-methyloctan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Also Known As: Calcitriol Impurities D, (1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-(7-hydroxy-7-methyloctan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
| 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 | 7 |
| Exact Mass | 430.3447 |
| Heavy Atoms | 31 |
| Complexity | 697.5364 |
Chemical Identifiers
| CAS Number | 103656-40-2 |
|---|---|
| SMILES | CC(CCCCC(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
Calcitriol Impurities D (CAS 103656-40-2), with molecular formula C28H46O3 and molecular weight 430.34 g/mol. IUPAC: trans-(1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-(7-hydroxy-7-methyloctan-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 Calcitriol Impurities D
Property Insights of Calcitriol Impurities D
The XLogP value of 6.0948 indicates that Calcitriol Impurities D 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 Calcitriol Impurities D. Following Lipinski's Rule of Five, Calcitriol Impurities D 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 Calcitriol Impurities D?
The CAS number of Calcitriol Impurities D is 103656-40-2.
What is the molecular formula of Calcitriol Impurities D?
The molecular formula of Calcitriol Impurities D is C28H46O3.
What is the molecular weight of Calcitriol Impurities D?
The molecular weight of Calcitriol Impurities D is 430.34 g/mol.
Where can I buy Calcitriol Impurities D?
You can request a quote for Calcitriol Impurities D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcitriol Impurities D?
Yes, KEHONG BIO provides custom synthesis services for Calcitriol Impurities D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.