CS-1173018
(S,Z)-3-(2-((1R,3aS,7aR,E)-1-((2S,5S,E)-6-Hydroxy-5,6-dimethylhept-3-en-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexan-1-ol Calcitriol impurity
Manufacturer: ChemScene
CAS Number: None
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₈H₄₄O₂
Molecular Weight
412.65
Synonyms
None
SMILES
C[C@@]12[C@](CC[C@@H]2[C@H](/C=C/[C@H](C)C(C)(C)O)C)([H])/C(CCC1)=C/C=C3C[C@@H](O)CCC/3=C
Tpsa
40.46
Logp
6.7559
H Acceptors
2
H Donors
2
Rotatable Bonds
5
Other Options
...
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₈H₄₄O₂
Molecular Weight: 412.65
Synonyms: None
SMILES: C[C@@]12[C@](CC[C@@H]2[C@H](/C=C/[C@H](C)C(C)(C)O)C)([H])/C(CCC1)=C/C=C3C[C@@H](O)CCC/3=C
Tpsa: 40.46
Logp: 6.7559
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₈H₄₄O₂
Molecular Weight:
412.65
Synonyms:
None
SMILES:
C[C@@]12[C@](CC[C@@H]2[C@H](/C=C/[C@H](C)C(C)(C)O)C)([H])/C(CCC1)=C/C=C3C[C@@H](O)CCC/3=C
Tpsa:
40.46
Logp:
6.7559
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₁H₆₃ClO₄Si₃
Molecular Weight: 619.54
Synonyms: None
SMILES: C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OCCCCO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)CC#CCCl
Tpsa: 36.92
Logp: 9.7727
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 15
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₁H₆₃ClO₄Si₃
Molecular Weight:
619.54
Synonyms:
None
SMILES:
C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OCCCCO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)CC#CCCl
Tpsa:
36.92
Logp:
9.7727
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
15
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅₉H₉₇NO₁₄Si
Molecular Weight: 1072.49
Synonyms: None
SMILES: O=C(C(N1CCCC[C@H]12)=O)C3([C@@H](CC[C@H](O3)C[C@@H](/C(C)=C/C=C/C=C/[C@H](C[C@H](/C(OCCO[Si](C)(C(C)(C)C)C)=C([C@@H](/C(C)=C/[C@H](C(C[C@H](OC2=O)[C@@H](C[C@H]4C[C@H]([C@@H](CC4)O)OC)C)=O)C)O)/OC)C)C)OC)C)O
Tpsa: 196.82
Logp: 9.4929
H Acceptors: 14
H Donors: 3
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₉H₉₇NO₁₄Si
Molecular Weight:
1072.49
Synonyms:
None
SMILES:
O=C(C(N1CCCC[C@H]12)=O)C3([C@@H](CC[C@H](O3)C[C@@H](/C(C)=C/C=C/C=C/[C@H](C[C@H](/C(OCCO[Si](C)(C(C)(C)C)C)=C([C@@H](/C(C)=C/[C@H](C(C[C@H](OC2=O)[C@@H](C[C@H]4C[C@H]([C@@H](CC4)O)OC)C)=O)C)O)/OC)C)C)OC)C)O
Tpsa:
196.82
Logp:
9.4929
H Acceptors:
14
H Donors:
3
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₈H₄₄O₃
Molecular Weight: 428.65
Synonyms: None
SMILES: C[C@@]12[C@](CC[C@@H]2[C@H](/C=C/[C@H](C)C(C)(C)O)C)([H])/C(CCC1)=C/C=C3C[C@@H](O)C[C@H](O)C/3=C
Tpsa: 60.69
Logp: 5.7267
H Acceptors: 3
H Donors: 3
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₈H₄₄O₃
Molecular Weight:
428.65
Synonyms:
None
SMILES:
C[C@@]12[C@](CC[C@@H]2[C@H](/C=C/[C@H](C)C(C)(C)O)C)([H])/C(CCC1)=C/C=C3C[C@@H](O)C[C@H](O)C/3=C
Tpsa:
60.69
Logp:
5.7267
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
5