CS-1001517
Docetaxel Impurity 46
Manufacturer: ChemScene
CAS Number: 147058-27-3
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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
C₁₈H₂₁NO₃
Molecular Weight
299.36
Synonyms
None
SMILES
[C@@H](N[C@@H](C)C1=CC=CC=C1)([C@H](C(OC)=O)O)C2=CC=CC=C2
Tpsa
58.56
Logp
2.6124
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: C₁₈H₂₁NO₃
Molecular Weight: 299.36
Synonyms: None
SMILES: [C@@H](N[C@@H](C)C1=CC=CC=C1)([C@H](C(OC)=O)O)C2=CC=CC=C2
Tpsa: 58.56
Logp: 2.6124
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:
C₁₈H₂₁NO₃
Molecular Weight:
299.36
Synonyms:
None
SMILES:
[C@@H](N[C@@H](C)C1=CC=CC=C1)([C@H](C(OC)=O)O)C2=CC=CC=C2
Tpsa:
58.56
Logp:
2.6124
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: C₁₈H₂₀N₂O₄S
Molecular Weight: 360.43
Synonyms: None
SMILES: CN1C[C@]2(N(C=3C(CC=4C2=CC=CC4)=CC(OS(=O)(=O)O)=CC3)CC1)[H]
Tpsa: 70.08
Logp: 2.2655
H Acceptors: 5
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:
C₁₈H₂₀N₂O₄S
Molecular Weight:
360.43
Synonyms:
None
SMILES:
CN1C[C@]2(N(C=3C(CC=4C2=CC=CC4)=CC(OS(=O)(=O)O)=CC3)CC1)[H]
Tpsa:
70.08
Logp:
2.2655
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
2
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₃NO₃S₂
Molecular Weight: 259.35
Synonyms: None
SMILES: O=S1(=O)C2=C([C@@H](NC(C)=O)C[C@@H]1C)C=CS2
Tpsa: 63.24
Logp: 1.4912
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₃NO₃S₂
Molecular Weight:
259.35
Synonyms:
None
SMILES:
O=S1(=O)C2=C([C@@H](NC(C)=O)C[C@@H]1C)C=CS2
Tpsa:
63.24
Logp:
1.4912
H Acceptors:
4
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: C₂₄H₂₄N₄O₇S
Molecular Weight: 512.53
Synonyms: None
SMILES: N(C([C@H](NC([C@H](N)C1=CC=C(O)C=C1)=O)C2=CC=C(O)C=C2)=O)[C@H]3[C@@]4(N(C3=O)C(C(O)=O)=C(C)CS4)[H]
Tpsa: 182.29
Logp: 0.7136
H Acceptors: 8
H Donors: 6
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₂₄N₄O₇S
Molecular Weight:
512.53
Synonyms:
None
SMILES:
N(C([C@H](NC([C@H](N)C1=CC=C(O)C=C1)=O)C2=CC=C(O)C=C2)=O)[C@H]3[C@@]4(N(C3=O)C(C(O)=O)=C(C)CS4)[H]
Tpsa:
182.29
Logp:
0.7136
H Acceptors:
8
H Donors:
6
Rotatable Bonds:
7