CS-1002590
Apalutamide Impurity 75
Manufacturer: ChemScene
CAS Number: 2110425-88-0
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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
C₂₁H₁₅F₄N₅OS₂
Molecular Weight
493.50
Synonyms
None
SMILES
N#CC1=NC=C(C=C1C(F)(F)F)N2C(=O)C3(N(C4=CC=C(C(F)=C4)C(=S)NC)C2=S)CCC3
Tpsa
72.26
Logp
4.06688
H Acceptors
5
H Donors
1
Rotatable Bonds
3
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: C₂₁H₁₅F₄N₅OS₂
Molecular Weight: 493.50
Synonyms: None
SMILES: N#CC1=NC=C(C=C1C(F)(F)F)N2C(=O)C3(N(C4=CC=C(C(F)=C4)C(=S)NC)C2=S)CCC3
Tpsa: 72.26
Logp: 4.06688
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:
C₂₁H₁₅F₄N₅OS₂
Molecular Weight:
493.50
Synonyms:
None
SMILES:
N#CC1=NC=C(C=C1C(F)(F)F)N2C(=O)C3(N(C4=CC=C(C(F)=C4)C(=S)NC)C2=S)CCC3
Tpsa:
72.26
Logp:
4.06688
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: C₁₉H₁₈ClN₃O₅S
Molecular Weight: 435.88
Synonyms: None
SMILES: C(O)(=O)[C@@H]1N2[C@@]([C@H](NC(=O)C=3C(=NOC3C)C4=CC=C(Cl)C=C4)C2=O)(SC1(C)C)[H]
Tpsa: 112.74
Logp: 2.54872
H Acceptors: 6
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:
C₁₉H₁₈ClN₃O₅S
Molecular Weight:
435.88
Synonyms:
None
SMILES:
C(O)(=O)[C@@H]1N2[C@@]([C@H](NC(=O)C=3C(=NOC3C)C4=CC=C(Cl)C=C4)C2=O)(SC1(C)C)[H]
Tpsa:
112.74
Logp:
2.54872
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
4
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₇H₂₃NO₆
Molecular Weight: 457.47
Synonyms: None
SMILES: O=C(O)C=1OC=2C(=CC=CC2C(=O)C1)NC(=O)C3=CC=C(OCCCCC=4C=CC=CC4)C=C3
Tpsa: 105.84
Logp: 5.1452
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 9
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₇H₂₃NO₆
Molecular Weight:
457.47
Synonyms:
None
SMILES:
O=C(O)C=1OC=2C(=CC=CC2C(=O)C1)NC(=O)C3=CC=C(OCCCCC=4C=CC=CC4)C=C3
Tpsa:
105.84
Logp:
5.1452
H Acceptors:
5
H Donors:
2
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: C₄H₇NO₂
Molecular Weight: 101.10
Synonyms: None
SMILES: O=C(O)C=C(N)C
Tpsa: 63.32
Logp: -0.0665
H Acceptors: 2
H Donors: 2
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:
C₄H₇NO₂
Molecular Weight:
101.10
Synonyms:
None
SMILES:
O=C(O)C=C(N)C
Tpsa:
63.32
Logp:
-0.0665
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
1