CS-1001738
Docetaxel Impurity 42
Manufacturer: ChemScene
CAS Number: 158810-72-1
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Purity
≥95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₄₆H₅₅Cl₂NO₁₆
Molecular Weight
948.83
Synonyms
None
SMILES
O(C(C)=O)[C@]12[C@]3([C@H](OC(=O)C4=CC=CC=C4)[C@@]5(O)C(C)(C)C([C@@H](O)C(=O)[C@]3(C)[C@@H](OC(OCC(Cl)Cl)=O)C[C@]1(OC2)[H])=C(C)[C@@H](OC([C@@H]([C@@H](NC(OC(C)(C)C)=O)C6=CC=CC=C6)O)=O)C5)[H]
Tpsa
239.75
Logp
5.2242
H Acceptors
16
H Donors
4
Rotatable Bonds
11
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 158810-72-1 | 7-O-2,2-DichloroethoxycarbonylDocetaxel | A2B Chem | -- |
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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: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₆H₅₅Cl₂NO₁₆
Molecular Weight: 948.83
Synonyms: None
SMILES: O(C(C)=O)[C@]12[C@]3([C@H](OC(=O)C4=CC=CC=C4)[C@@]5(O)C(C)(C)C([C@@H](O)C(=O)[C@]3(C)[C@@H](OC(OCC(Cl)Cl)=O)C[C@]1(OC2)[H])=C(C)[C@@H](OC([C@@H]([C@@H](NC(OC(C)(C)C)=O)C6=CC=CC=C6)O)=O)C5)[H]
Tpsa: 239.75
Logp: 5.2242
H Acceptors: 16
H Donors: 4
Rotatable Bonds: 11
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₆H₅₅Cl₂NO₁₆
Molecular Weight:
948.83
Synonyms:
None
SMILES:
O(C(C)=O)[C@]12[C@]3([C@H](OC(=O)C4=CC=CC=C4)[C@@]5(O)C(C)(C)C([C@@H](O)C(=O)[C@]3(C)[C@@H](OC(OCC(Cl)Cl)=O)C[C@]1(OC2)[H])=C(C)[C@@H](OC([C@@H]([C@@H](NC(OC(C)(C)C)=O)C6=CC=CC=C6)O)=O)C5)[H]
Tpsa:
239.75
Logp:
5.2242
H Acceptors:
16
H Donors:
4
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₉H₂₈F₂N₆O₆S
Molecular Weight: 626.63
Synonyms: None
SMILES: O=C(OCC)N(C=1SC(C=2C=CC(=CC2)N(=O)=O)=C(C1C(=O)NC3=NN=C(OC)C=C3)CN(C)C)CC=4C(F)=CC=CC4F
Tpsa: 140.03
Logp: 5.8771
H Acceptors: 10
H Donors: 1
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₂₈F₂N₆O₆S
Molecular Weight:
626.63
Synonyms:
None
SMILES:
O=C(OCC)N(C=1SC(C=2C=CC(=CC2)N(=O)=O)=C(C1C(=O)NC3=NN=C(OC)C=C3)CN(C)C)CC=4C(F)=CC=CC4F
Tpsa:
140.03
Logp:
5.8771
H Acceptors:
10
H Donors:
1
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₈N₂
Molecular Weight: 130.23
Synonyms: None
SMILES: NCC(CN)CC(C)C
Tpsa: 52.04
Logp: 0.5661
H Acceptors: 2
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:
C₇H₁₈N₂
Molecular Weight:
130.23
Synonyms:
None
SMILES:
NCC(CN)CC(C)C
Tpsa:
52.04
Logp:
0.5661
H Acceptors:
2
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: C₁₀H₁₀ClNO₄
Molecular Weight: 243.64
Synonyms: None
SMILES: O=C(O)CC(C1=CC=C(Cl)C=C1)CN(=O)=O
Tpsa: 80.44
Logp: 2.175
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₀ClNO₄
Molecular Weight:
243.64
Synonyms:
None
SMILES:
O=C(O)CC(C1=CC=C(Cl)C=C1)CN(=O)=O
Tpsa:
80.44
Logp:
2.175
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
5