CS-0006005
Impurity I of Calcipotriol
Manufacturer: ChemScene
CAS Number: None
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Shipping with dry ice.
Molecular Formula
C₂₇H₄₀O₃
Molecular Weight
412.60
Synonyms
None
SMILES
O[C@H]1C[C@H](O)CC2=C1C[C@]3([H])[C@@]2([H])[C@]43[C@@](CC[C@@H]5[C@@H](/C=C/[C@@H](O)C6CC6)C)([H])[C@]5(C)CCC4
Tpsa
60.69
Logp
4.6143
H Acceptors
3
H Donors
3
Rotatable Bonds
4
Other Options
...
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: Shipping with dry ice.
Molecular Formula: C₂₇H₄₀O₃
Molecular Weight: 412.60
Synonyms: None
SMILES: O[C@H]1C[C@H](O)CC2=C1C[C@]3([H])[C@@]2([H])[C@]43[C@@](CC[C@@H]5[C@@H](/C=C/[C@@H](O)C6CC6)C)([H])[C@]5(C)CCC4
Tpsa: 60.69
Logp: 4.6143
H Acceptors: 3
H Donors: 3
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Shipping with dry ice.
Molecular Formula:
C₂₇H₄₀O₃
Molecular Weight:
412.60
Synonyms:
None
SMILES:
O[C@H]1C[C@H](O)CC2=C1C[C@]3([H])[C@@]2([H])[C@]43[C@@](CC[C@@H]5[C@@H](/C=C/[C@@H](O)C6CC6)C)([H])[C@]5(C)CCC4
Tpsa:
60.69
Logp:
4.6143
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
4
Purity: 98%
MDL No: MFCD22571240
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₂₅NO₅
Molecular Weight: 287.35
Synonyms: tert-butyl 3-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-3-hydroxyazetidine-1-carboxylate(WXC04191)
SMILES: OC1(C(C)(C(OCC)=O)C)CN(C(OC(C)(C)C)=O)C1
Tpsa: 76.07
Logp: 1.5575
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD22571240
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₂₅NO₅
Molecular Weight:
287.35
Synonyms:
tert-butyl 3-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-3-hydroxyazetidine-1-carboxylate(WXC04191)
SMILES:
OC1(C(C)(C(OCC)=O)C)CN(C(OC(C)(C)C)=O)C1
Tpsa:
76.07
Logp:
1.5575
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
3
Purity: 98+%
MDL No: MFCD22571241
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₂₃NO₄
Molecular Weight: 245.32
Synonyms: tert-butyl 3-hydroxy-3-(2-hydroxy-1,1-dimethyl-ethyl)azetidine-1- carboxylate
SMILES: OC1(C(C)(C)CO)CN(C(OC(C)(C)C)=O)C1
Tpsa: 70
Logp: 0.9867
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 2
Purity:
98+%
MDL No:
MFCD22571241
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₂₃NO₄
Molecular Weight:
245.32
Synonyms:
tert-butyl 3-hydroxy-3-(2-hydroxy-1,1-dimethyl-ethyl)azetidine-1- carboxylate
SMILES:
OC1(C(C)(C)CO)CN(C(OC(C)(C)C)=O)C1
Tpsa:
70
Logp:
0.9867
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₂₄O₃
Molecular Weight: 276.37
Synonyms: None
SMILES: O=C(OCC)C[C@H]1CC[C@H](C2=CC=C(CO)C=C2)CC1
Tpsa: 46.53
Logp: 3.4059
H Acceptors: 3
H Donors: 1
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:
C₁₇H₂₄O₃
Molecular Weight:
276.37
Synonyms:
None
SMILES:
O=C(OCC)C[C@H]1CC[C@H](C2=CC=C(CO)C=C2)CC1
Tpsa:
46.53
Logp:
3.4059
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
5