CS-1002936
Trilostane Impurity 2
Manufacturer: ChemScene
CAS Number: 2301065-59-6
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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
C₂₀H₂₇NO₂
Molecular Weight
313.43
Synonyms
None
SMILES
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@H](O)CC4)[H])(CCC1=CC(O)=C(C#N)C2)[H])[H]
Tpsa
64.25
Logp
4.25568
H Acceptors
3
H Donors
2
Rotatable Bonds
0
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: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₇NO₂
Molecular Weight: 313.43
Synonyms: None
SMILES: C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@H](O)CC4)[H])(CCC1=CC(O)=C(C#N)C2)[H])[H]
Tpsa: 64.25
Logp: 4.25568
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₇NO₂
Molecular Weight:
313.43
Synonyms:
None
SMILES:
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@H](O)CC4)[H])(CCC1=CC(O)=C(C#N)C2)[H])[H]
Tpsa:
64.25
Logp:
4.25568
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₂₀N₄O₁₂P₄
Molecular Weight: 608.27
Synonyms: None
SMILES: O=P(O)(O)C1(OP(=O)(O)C(OP1(=O)O)(CC2=CN=C3C=CC=CN32)P(=O)(O)O)CC4=CN=C5C=CC=CN54
Tpsa: 242.72
Logp: 1.8478
H Acceptors: 10
H Donors: 6
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:
C₁₈H₂₀N₄O₁₂P₄
Molecular Weight:
608.27
Synonyms:
None
SMILES:
O=P(O)(O)C1(OP(=O)(O)C(OP1(=O)O)(CC2=CN=C3C=CC=CN32)P(=O)(O)O)CC4=CN=C5C=CC=CN54
Tpsa:
242.72
Logp:
1.8478
H Acceptors:
10
H Donors:
6
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: C₁₆H₁₂ClNO₃S
Molecular Weight: 333.79
Synonyms: None
SMILES: O=S(=O)(Cl)C=1C=CC=CC1C2=NOC(=C2C=3C=CC=CC3)C
Tpsa: 60.17
Logp: 4.24452
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₂ClNO₃S
Molecular Weight:
333.79
Synonyms:
None
SMILES:
O=S(=O)(Cl)C=1C=CC=CC1C2=NOC(=C2C=3C=CC=CC3)C
Tpsa:
60.17
Logp:
4.24452
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₃₂O₆
Molecular Weight: 416.51
Synonyms: None
SMILES: C(OC)(=O)[C@@H]1[C@]2([C@]3([C@@](C)([C@@]4(CC3)CCC(=O)O4)C[C@@H](O)[C@@]2([C@]5(C)C(C1)=CC(=O)CC5)[H])[H])[H]
Tpsa: 89.9
Logp: 2.964
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₃₂O₆
Molecular Weight:
416.51
Synonyms:
None
SMILES:
C(OC)(=O)[C@@H]1[C@]2([C@]3([C@@](C)([C@@]4(CC3)CCC(=O)O4)C[C@@H](O)[C@@]2([C@]5(C)C(C1)=CC(=O)CC5)[H])[H])[H]
Tpsa:
89.9
Logp:
2.964
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
1