CS-0655106
2-[(1S,2R)-1-Ethyl-2-(phenylmethoxy)propyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one
Manufacturer: ChemScene
CAS Number: 2243786-00-5
The price for this product is unavailable. Please request a quote
Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₃₀H₃₅N₅O₃
Molecular Weight
513.63
Synonyms
None
SMILES
O=C1N([C@@H](CC)[C@H](OCC2=CC=CC=C2)C)N=CN1C3=CC=C(N4CCN(C5=CC=C(O)C=C5)CC4)C=C3
Tpsa
75.76
Logp
4.6226
H Acceptors
8
H Donors
1
Rotatable Bonds
9
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: C₃₀H₃₅N₅O₃
Molecular Weight: 513.63
Synonyms: None
SMILES: O=C1N([C@@H](CC)[C@H](OCC2=CC=CC=C2)C)N=CN1C3=CC=C(N4CCN(C5=CC=C(O)C=C5)CC4)C=C3
Tpsa: 75.76
Logp: 4.6226
H Acceptors: 8
H Donors: 1
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₀H₃₅N₅O₃
Molecular Weight:
513.63
Synonyms:
None
SMILES:
O=C1N([C@@H](CC)[C@H](OCC2=CC=CC=C2)C)N=CN1C3=CC=C(N4CCN(C5=CC=C(O)C=C5)CC4)C=C3
Tpsa:
75.76
Logp:
4.6226
H Acceptors:
8
H Donors:
1
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₆H₅₇O₅PSi₂
Molecular Weight: 656.98
Synonyms: None
SMILES: OCCCO[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)C/1=C)[C@H](O[Si](C)(C)C(C)(C)C)CC1=C\CP(C2=CC=CC=C2)(C3=CC=CC=C3)=O
Tpsa: 64.99
Logp: 8.4352
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₆H₅₇O₅PSi₂
Molecular Weight:
656.98
Synonyms:
None
SMILES:
OCCCO[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)C/1=C)[C@H](O[Si](C)(C)C(C)(C)C)CC1=C\CP(C2=CC=CC=C2)(C3=CC=CC=C3)=O
Tpsa:
64.99
Logp:
8.4352
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₀H₄₃O₅PSi
Molecular Weight: 542.72
Synonyms: None
SMILES: O[C@H](C/1=C)[C@H](OCCCO)[C@H](O[Si](C)(C)C(C)(C)C)CC1=C\CP(C2=CC=CC=C2)(C3=CC=CC=C3)=O
Tpsa: 75.99
Logp: 5.4057
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₀H₄₃O₅PSi
Molecular Weight:
542.72
Synonyms:
None
SMILES:
O[C@H](C/1=C)[C@H](OCCCO)[C@H](O[Si](C)(C)C(C)(C)C)CC1=C\CP(C2=CC=CC=C2)(C3=CC=CC=C3)=O
Tpsa:
75.99
Logp:
5.4057
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₇H₄₂F₂N₈O₄
Molecular Weight: 700.78
Synonyms: None
SMILES: CCC([C@@H](O)C)N(C1=O)N=CN1C(C=C2)=CC=C2N(CC3)CCN3C(C=C4)=CC=C4OC[C@@H](C5)CO[C@@]5(CN6C=NC=N6)C7=CC=C(F)C=C7F
Tpsa: 115.7
Logp: 4.5732
H Acceptors: 12
H Donors: 1
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₇H₄₂F₂N₈O₄
Molecular Weight:
700.78
Synonyms:
None
SMILES:
CCC([C@@H](O)C)N(C1=O)N=CN1C(C=C2)=CC=C2N(CC3)CCN3C(C=C4)=CC=C4OC[C@@H](C5)CO[C@@]5(CN6C=NC=N6)C7=CC=C(F)C=C7F
Tpsa:
115.7
Logp:
4.5732
H Acceptors:
12
H Donors:
1
Rotatable Bonds:
12