CS-1001129
Androstane-3,17-diol, 2,16-di-1-piperidinyl-, 17-acetate, (2β,3α,5α,16β,17β)-
Manufacturer: ChemScene
CAS Number: 13522-24-2
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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
C₃₁H₅₂N₂O₃
Molecular Weight
500.76
Synonyms
None
SMILES
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(C[C@H](O)[C@H](C4)N5CCCCC5)[H])(CC1)[H])[H])(C[C@@H]([C@@H]2OC(C)=O)N6CCCCC6)[H]
Tpsa
53.01
Logp
5.2505
H Acceptors
5
H Donors
1
Rotatable Bonds
3
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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: C₃₁H₅₂N₂O₃
Molecular Weight: 500.76
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(C[C@H](O)[C@H](C4)N5CCCCC5)[H])(CC1)[H])[H])(C[C@@H]([C@@H]2OC(C)=O)N6CCCCC6)[H]
Tpsa: 53.01
Logp: 5.2505
H Acceptors: 5
H Donors: 1
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:
C₃₁H₅₂N₂O₃
Molecular Weight:
500.76
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(C[C@H](O)[C@H](C4)N5CCCCC5)[H])(CC1)[H])[H])(C[C@@H]([C@@H]2OC(C)=O)N6CCCCC6)[H]
Tpsa:
53.01
Logp:
5.2505
H Acceptors:
5
H Donors:
1
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: C₉H₁₂N₂O₄S
Molecular Weight: 244.27
Synonyms: None
SMILES: O=C(N(O)S(=O)(=O)C=1C=CC=CC1)N(C)C
Tpsa: 77.92
Logp: 0.7481
H Acceptors: 4
H Donors: 1
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:
C₉H₁₂N₂O₄S
Molecular Weight:
244.27
Synonyms:
None
SMILES:
O=C(N(O)S(=O)(=O)C=1C=CC=CC1)N(C)C
Tpsa:
77.92
Logp:
0.7481
H Acceptors:
4
H Donors:
1
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: C₂₁H₂₆ClNO
Molecular Weight: 343.89
Synonyms: None
SMILES: [C@@](OC1CCN(C)CCC1)(C)(C2=CC=C(Cl)C=C2)C3=CC=CC=C3
Tpsa: 12.47
Logp: 5.1044
H Acceptors: 2
H Donors: 0
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:
C₂₁H₂₆ClNO
Molecular Weight:
343.89
Synonyms:
None
SMILES:
[C@@](OC1CCN(C)CCC1)(C)(C2=CC=C(Cl)C=C2)C3=CC=CC=C3
Tpsa:
12.47
Logp:
5.1044
H Acceptors:
2
H Donors:
0
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: C₁₂H₁₃F₂N₃O₂
Molecular Weight: 269.25
Synonyms: None
SMILES: [C@@](CN1C=NC=N1)([C@H](C)O)(O)C2=C(F)C=C(F)C=C2
Tpsa: 71.17
Logp: 0.8249
H Acceptors: 5
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:
C₁₂H₁₃F₂N₃O₂
Molecular Weight:
269.25
Synonyms:
None
SMILES:
[C@@](CN1C=NC=N1)([C@H](C)O)(O)C2=C(F)C=C(F)C=C2
Tpsa:
71.17
Logp:
0.8249
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
4