CS-1001904
Ritonavir Impurity 57
Manufacturer: ChemScene
CAS Number: 165316-09-6
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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
C₁₃H₂₁N₃O₃S
Molecular Weight
299.39
Synonyms
None
SMILES
C(N(C(N[C@@H](C(C)C)C(O)=O)=O)C)C=1N=C(CC)SC1
Tpsa
82.53
Logp
1.9561
H Acceptors
4
H Donors
2
Rotatable Bonds
6
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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: C₁₃H₂₁N₃O₃S
Molecular Weight: 299.39
Synonyms: None
SMILES: C(N(C(N[C@@H](C(C)C)C(O)=O)=O)C)C=1N=C(CC)SC1
Tpsa: 82.53
Logp: 1.9561
H Acceptors: 4
H Donors: 2
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:
C₁₃H₂₁N₃O₃S
Molecular Weight:
299.39
Synonyms:
None
SMILES:
C(N(C(N[C@@H](C(C)C)C(O)=O)=O)C)C=1N=C(CC)SC1
Tpsa:
82.53
Logp:
1.9561
H Acceptors:
4
H Donors:
2
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: C₂₆H₃₃NO₂
Molecular Weight: 391.55
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)C(=CC3)C[C@@H](OC(C)=O)CC4)[H])[H])(CC=C2C5=CC=CC=N5)[H]
Tpsa: 39.19
Logp: 5.9694
H Acceptors: 3
H Donors: 0
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:
C₂₆H₃₃NO₂
Molecular Weight:
391.55
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)C(=CC3)C[C@@H](OC(C)=O)CC4)[H])[H])(CC=C2C5=CC=CC=N5)[H]
Tpsa:
39.19
Logp:
5.9694
H Acceptors:
3
H Donors:
0
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: C₂₈H₃₅NO₃
Molecular Weight: 433.58
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3(C([C@@H](C1)C4=CC=C(N(C)C)C=C4)=C5C(CC3)=CC(=O)CC5)[H])(CC[C@@]2(C(C)=O)O)[H]
Tpsa: 57.61
Logp: 4.9722
H Acceptors: 4
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:
C₂₈H₃₅NO₃
Molecular Weight:
433.58
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3(C([C@@H](C1)C4=CC=C(N(C)C)C=C4)=C5C(CC3)=CC(=O)CC5)[H])(CC[C@@]2(C(C)=O)O)[H]
Tpsa:
57.61
Logp:
4.9722
H Acceptors:
4
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: C₃₀H₃₇NO₄
Molecular Weight: 475.62
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3(C([C@@H](C1)C4=CC=C(N(C)C)C=C4)=C5C(CC3)=CC(=O)CC5)[H])(CC[C@]2(OC(C)=O)C(C)=O)[H]
Tpsa: 63.68
Logp: 5.543
H Acceptors: 5
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:
C₃₀H₃₇NO₄
Molecular Weight:
475.62
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3(C([C@@H](C1)C4=CC=C(N(C)C)C=C4)=C5C(CC3)=CC(=O)CC5)[H])(CC[C@]2(OC(C)=O)C(C)=O)[H]
Tpsa:
63.68
Logp:
5.543
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
4