CS-1172987
(1R,3aR,4S,7aR)-1-((2R,5R,E)-5-Cyclopropyl-5-hydroxypent-3-en-2-yl)-7a-methyloctahydro-1H-inden-4-yl benzoate calcitriol impurity
Manufacturer: ChemScene
CAS Number: 186536-91-4
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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
C₂₅H₃₄O₃
Molecular Weight
382.54
Synonyms
None
SMILES
C[C@@]12[C@](CC[C@@H]2[C@@H](/C=C/[C@@H](C3CC3)O)C)([H])[C@@H](OC(C4=CC=CC=C4)=O)CCC1
Tpsa
46.53
Logp
5.3916
H Acceptors
3
H Donors
1
Rotatable Bonds
6
Related Products
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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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: C₂₅H₃₄O₃
Molecular Weight: 382.54
Synonyms: None
SMILES: C[C@@]12[C@](CC[C@@H]2[C@@H](/C=C/[C@@H](C3CC3)O)C)([H])[C@@H](OC(C4=CC=CC=C4)=O)CCC1
Tpsa: 46.53
Logp: 5.3916
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₃₄O₃
Molecular Weight:
382.54
Synonyms:
None
SMILES:
C[C@@]12[C@](CC[C@@H]2[C@@H](/C=C/[C@@H](C3CC3)O)C)([H])[C@@H](OC(C4=CC=CC=C4)=O)CCC1
Tpsa:
46.53
Logp:
5.3916
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₉H₅₈O₅Si₃
Molecular Weight: 571.02
Synonyms: (5R,6R)-5-((叔丁基二甲基硅烷基)氧基)-6-(3-((叔丁基二甲基硅烷基)氧基)丙氧基)-6-((R)-2,2,3,3-四甲基-3,6-二氢-2H-1,2-氧杂杨林-6-基)己-2-炔-1-醇 （艾迪骨化醇杂质）
SMILES: OCC#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCCCO[Si](C)(C)C(C)(C)C)[C@H](O[Si]1(C)C)C=CC1(C)C
Tpsa: 57.15
Logp: 7.5
H Acceptors: 5
H Donors: 1
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:
C₂₉H₅₈O₅Si₃
Molecular Weight:
571.02
Synonyms:
(5R,6R)-5-((叔丁基二甲基硅烷基)氧基)-6-(3-((叔丁基二甲基硅烷基)氧基)丙氧基)-6-((R)-2,2,3,3-四甲基-3,6-二氢-2H-1,2-氧杂杨林-6-基)己-2-炔-1-醇 （艾迪骨化醇杂质）
SMILES:
OCC#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCCCO[Si](C)(C)C(C)(C)C)[C@H](O[Si]1(C)C)C=CC1(C)C
Tpsa:
57.15
Logp:
7.5
H Acceptors:
5
H Donors:
1
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: C₂₀H₃₂N₂O₄
Molecular Weight: 364.48
Synonyms: None
SMILES: O=C(C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N(CC=C)CC=C)C1)O
Tpsa: 78.87
Logp: 2.5222
H Acceptors: 4
H Donors: 2
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:
C₂₀H₃₂N₂O₄
Molecular Weight:
364.48
Synonyms:
None
SMILES:
O=C(C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N(CC=C)CC=C)C1)O
Tpsa:
78.87
Logp:
2.5222
H Acceptors:
4
H Donors:
2
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: C₁₈H₃₀O₂
Molecular Weight: 278.43
Synonyms: None
SMILES: C[C@@]12[C@](CC[C@@H]2[C@@H](/C=C/[C@H](O)C3CC3)C)([H])[C@@H](O)CCC1
Tpsa: 40.46
Logp: 3.5269
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₃₀O₂
Molecular Weight:
278.43
Synonyms:
None
SMILES:
C[C@@]12[C@](CC[C@@H]2[C@@H](/C=C/[C@H](O)C3CC3)C)([H])[C@@H](O)CCC1
Tpsa:
40.46
Logp:
3.5269
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
4